1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine

C22H29N3 — CID 787090

IUPAC1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(C2CCC(N3CCN(Cc4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C22H29N3/c1-2-6-19(7-3-1)20-9-11-22(12-10-20)25-16-14-24(15-17-25)18-21-8-4-5-13-23-21/h1-8,13,20,22H,9-12,14-18H2
InChIKeyVJFHPQIITGJXST-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine

1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 787090) has the molecular formula C22H29N3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine
PubChem CID787090
Molecular FormulaC22H29N3
Molecular Weight335.49 g/mol
Exact Mass335.24
IUPAC Name1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine
SMILESc1ccc(C2CCC(N3CCN(Cc4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C22H29N3/c1-2-6-19(7-3-1)20-9-11-22(12-10-20)25-16-14-24(15-17-25)18-21-8-4-5-13-23-21/h1-8,13,20,22H,9-12,14-18H2
InChIKeyVJFHPQIITGJXST-UHFFFAOYSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Triprolidine
CID 5282443
Brompheniramine
CID 6834
Dexchlorpheniramine
CID 33036
(+-)-Dimethindene
CID 21855
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Dexbrompheniramine
CID 16960
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
Anabaseine
CID 18985

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine (CID 787090) is 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine is c1ccc(C2CCC(N3CCN(Cc4ccccn4)CC3)CC2)cc1.
What is the InChIKey of 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is VJFHPQIITGJXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-6-19(7-3-1)20-9-11-22(12-10-20)25-16-14-24(15-17-25)18-21-8-4-5-13-23-21/h1-8,13,20,22H,9-12,14-18H2.
What are the key properties of 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine?
1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 335.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylcyclohexyl)-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 787090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).