4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol

C21H41NO — CID 121307065

IUPAC4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol
SMILESCCCCCN1CCCC(CC(C)(O)CCC2CCCCC2)C1
InChIInChI=1S/C21H41NO/c1-3-4-8-15-22-16-9-12-20(18-22)17-21(2,23)14-13-19-10-6-5-7-11-19/h19-20,23H,3-18H2,1-2H3
InChIKeyKVHAYZBRMOVJJD-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.39
Rot. Bonds9

About 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol

4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol (PubChem CID 121307065) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol
PubChem CID121307065
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol
SMILESCCCCCN1CCCC(CC(C)(O)CCC2CCCCC2)C1
InChIInChI=1S/C21H41NO/c1-3-4-8-15-22-16-9-12-20(18-22)17-21(2,23)14-13-19-10-6-5-7-11-19/h19-20,23H,3-18H2,1-2H3
InChIKeyKVHAYZBRMOVJJD-UHFFFAOYSA-N
XLogP5.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol?
The IUPAC name of 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol (CID 121307065) is 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol.
What is the SMILES notation for 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol?
The canonical SMILES for 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol is CCCCCN1CCCC(CC(C)(O)CCC2CCCCC2)C1.
What is the InChIKey of 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol?
The InChIKey is KVHAYZBRMOVJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-3-4-8-15-22-16-9-12-20(18-22)17-21(2,23)14-13-19-10-6-5-7-11-19/h19-20,23H,3-18H2,1-2H3.
What are the key properties of 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol?
4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol has a molecular weight of 323.57 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methyl-1-(1-pentylpiperidin-3-yl)butan-2-ol is sourced from PubChem (CID 121307065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).