1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol

C24H45NO — CID 10237150

IUPAC1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1(C2CCCCC2)CCCCCCCCCCC1CN1CCCCC1
InChIInChI=1S/C24H45NO/c26-24(22-15-10-7-11-16-22)18-12-6-4-2-1-3-5-9-17-23(24)21-25-19-13-8-14-20-25/h22-23,26H,1-21H2
InChIKeyAPUNNNKDAKYTAR-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.31
Rot. Bonds3

About 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol

1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol (PubChem CID 10237150) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
PubChem CID10237150
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1(C2CCCCC2)CCCCCCCCCCC1CN1CCCCC1
InChIInChI=1S/C24H45NO/c26-24(22-15-10-7-11-16-22)18-12-6-4-2-1-3-5-9-17-23(24)21-25-19-13-8-14-20-25/h22-23,26H,1-21H2
InChIKeyAPUNNNKDAKYTAR-UHFFFAOYSA-N
XLogP6.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
The IUPAC name of 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol (CID 10237150) is 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol.
What is the SMILES notation for 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
The canonical SMILES for 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol is OC1(C2CCCCC2)CCCCCCCCCCC1CN1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
The InChIKey is APUNNNKDAKYTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/c26-24(22-15-10-7-11-16-22)18-12-6-4-2-1-3-5-9-17-23(24)21-25-19-13-8-14-20-25/h22-23,26H,1-21H2.
What are the key properties of 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol has a molecular weight of 363.63 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol is sourced from PubChem (CID 10237150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).