1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine

C22H29N3 — CID 155289389

IUPAC1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine
SMILESCc1cccc([C@H]2CC[C@@H](N3CCN(c4cccnc4)CC3)CC2)c1
InChIInChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+
InChIKeyQANXJBIOBLNORO-TYKWCNGQSA-N
MW335.50 g/mol
LogP4.24
Rot. Bonds3

About 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine

1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine (PubChem CID 155289389) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine
PubChem CID155289389
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine
SMILESCc1cccc([C@H]2CC[C@@H](N3CCN(c4cccnc4)CC3)CC2)c1
InChIInChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+
InChIKeyQANXJBIOBLNORO-TYKWCNGQSA-N
XLogP4.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine (CID 155289389) is 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine is Cc1cccc([C@H]2CC[C@@H](N3CCN(c4cccnc4)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
The InChIKey is QANXJBIOBLNORO-TYKWCNGQSA-N. The full InChI is InChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+.
What are the key properties of 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine?
1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine has a molecular weight of 335.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)cyclohexyl]-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 155289389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).