1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine

C26H37N3O — CID 91151355

IUPAC1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(CCC2CCCCC2)c2ccccn2)CC1
InChIInChI=1S/C26H37N3O/c1-30-26-13-6-5-12-25(26)29-19-17-28(18-20-29)21-23(24-11-7-8-16-27-24)15-14-22-9-3-2-4-10-22/h5-8,11-13,16,22-23H,2-4,9-10,14-15,17-21H2,1H3
InChIKeyBAZBQNCGKFOCIT-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.36
Rot. Bonds8

About 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine

1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 91151355) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine
PubChem CID91151355
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(CCC2CCCCC2)c2ccccn2)CC1
InChIInChI=1S/C26H37N3O/c1-30-26-13-6-5-12-25(26)29-19-17-28(18-20-29)21-23(24-11-7-8-16-27-24)15-14-22-9-3-2-4-10-22/h5-8,11-13,16,22-23H,2-4,9-10,14-15,17-21H2,1H3
InChIKeyBAZBQNCGKFOCIT-UHFFFAOYSA-N
XLogP5.36
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-2-ylethanamine
CID 56986560
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenyl-2-pyridin-2-ylpropan-1-ol
CID 15016113
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 609668
cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 18726870
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 23290924
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
CID 22482100
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine (CID 91151355) is 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC(CCC2CCCCC2)c2ccccn2)CC1.
What is the InChIKey of 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is BAZBQNCGKFOCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-30-26-13-6-5-12-25(26)29-19-17-28(18-20-29)21-23(24-11-7-8-16-27-24)15-14-22-9-3-2-4-10-22/h5-8,11-13,16,22-23H,2-4,9-10,14-15,17-21H2,1H3.
What are the key properties of 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine?
1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 407.60 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-2-pyridin-2-ylbutyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 91151355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).