1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine

C22H29N3 — CID 786338

IUPAC1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESc1ccc(C2CCC(N3CCN(Cc4cccnc4)CC3)CC2)cc1
InChIInChI=1S/C22H29N3/c1-2-6-20(7-3-1)21-8-10-22(11-9-21)25-15-13-24(14-16-25)18-19-5-4-12-23-17-19/h1-7,12,17,21-22H,8-11,13-16,18H2
InChIKeyLKLASWHVKBTLFT-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine

1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 786338) has the molecular formula C22H29N3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine
PubChem CID786338
Molecular FormulaC22H29N3
Molecular Weight335.49 g/mol
Exact Mass335.24
IUPAC Name1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESc1ccc(C2CCC(N3CCN(Cc4cccnc4)CC3)CC2)cc1
InChIInChI=1S/C22H29N3/c1-2-6-20(7-3-1)21-8-10-22(11-9-21)25-15-13-24(14-16-25)18-19-5-4-12-23-17-19/h1-7,12,17,21-22H,8-11,13-16,18H2
InChIKeyLKLASWHVKBTLFT-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine (CID 786338) is 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine is c1ccc(C2CCC(N3CCN(Cc4cccnc4)CC3)CC2)cc1.
What is the InChIKey of 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is LKLASWHVKBTLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-6-20(7-3-1)21-8-10-22(11-9-21)25-15-13-24(14-16-25)18-19-5-4-12-23-17-19/h1-7,12,17,21-22H,8-11,13-16,18H2.
What are the key properties of 1-(4-phenylcyclohexyl)-4-(pyridin-3-ylmethyl)piperazine?
1-(4-phenylcyclohexyl)-4-(pyridin-3-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-3-ylmethyl)piperazine is sourced from PubChem (CID 786338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).