2-[4-(piperazin-1-yl)phenyl]pyrimidine dihydrochloride

2-[4-(piperazin-1-yl)phenyl]pyrimidine dihydrochloride

CAS: 1427195-19-4

Formula: C14H18Cl2N4

SMILES: Cl.Cl.C1CN(CCN1)C1=CC=C(C=C1)C1=NC=CC=N1

IUPAC: 2-[4-(piperazin-1-yl)phenyl]pyrimidine dihydrochloride

InChI: InChI=1S/C14H16N4.2ClH/c1-6-16-14(17-7-1)12-2-4-13(5-3-12)18-10-8-15-9-11-18;;/h1-7,15H,8-11H2;2*1H

Composition: C (53.68%), H (5.79%), Cl (22.64%), N (17.89%)

Molar Mass: 313.23

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	312.090852
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NNUPFUNYMQHELR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.32
Topological Polar Surface Area	41.05
Polarizability	28.14
Ring Count	3
Rotatable Bond Count	2

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