1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol

C16H29NO — CID 155302701

IUPAC1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC(C2CC2)CC1
InChIInChI=1S/C16H29NO/c1-12-10-16(18)8-9-17(12)11-13-2-4-14(5-3-13)15-6-7-15/h12-16,18H,2-11H2,1H3
InChIKeyGFJICBFKEMJHAJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.05
Rot. Bonds3

About 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol

1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol (PubChem CID 155302701) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol
PubChem CID155302701
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC(C2CC2)CC1
InChIInChI=1S/C16H29NO/c1-12-10-16(18)8-9-17(12)11-13-2-4-14(5-3-13)15-6-7-15/h12-16,18H,2-11H2,1H3
InChIKeyGFJICBFKEMJHAJ-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol (CID 155302701) is 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol is CC1CC(O)CCN1CC1CCC(C2CC2)CC1.
What is the InChIKey of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
The InChIKey is GFJICBFKEMJHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12-10-16(18)8-9-17(12)11-13-2-4-14(5-3-13)15-6-7-15/h12-16,18H,2-11H2,1H3.
What are the key properties of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol?
1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol has a molecular weight of 251.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).