(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol

C18H33NO — CID 79057217

IUPAC(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol
SMILESCC1CCC(C(O)C2(N3CCCCC3)CCCC2)CC1
InChIInChI=1S/C18H33NO/c1-15-7-9-16(10-8-15)17(20)18(11-3-4-12-18)19-13-5-2-6-14-19/h15-17,20H,2-14H2,1H3
InChIKeyHYZNACMSIWXJGU-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.97
Rot. Bonds3

About (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol

(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol (PubChem CID 79057217) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol
PubChem CID79057217
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol
SMILESCC1CCC(C(O)C2(N3CCCCC3)CCCC2)CC1
InChIInChI=1S/C18H33NO/c1-15-7-9-16(10-8-15)17(20)18(11-3-4-12-18)19-13-5-2-6-14-19/h15-17,20H,2-14H2,1H3
InChIKeyHYZNACMSIWXJGU-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol?
The IUPAC name of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol (CID 79057217) is (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol.
What is the SMILES notation for (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol?
The canonical SMILES for (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol is CC1CCC(C(O)C2(N3CCCCC3)CCCC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol?
The InChIKey is HYZNACMSIWXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-15-7-9-16(10-8-15)17(20)18(11-3-4-12-18)19-13-5-2-6-14-19/h15-17,20H,2-14H2,1H3.
What are the key properties of (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol?
(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol has a molecular weight of 279.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol is sourced from PubChem (CID 79057217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).