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

C23H43NO — CID 10308929

IUPAC1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1(C2CCCC2)CCCCCCCCCCC1CN1CCCCC1
InChIInChI=1S/C23H43NO/c25-23(21-14-9-10-15-21)17-11-6-4-2-1-3-5-8-16-22(23)20-24-18-12-7-13-19-24/h21-22,25H,1-20H2
InChIKeyVPMPJEPUEDNUQK-UHFFFAOYSA-N
MW349.60 g/mol
LogP5.92
Rot. Bonds3

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

1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol (PubChem CID 10308929) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
PubChem CID10308929
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol
SMILESOC1(C2CCCC2)CCCCCCCCCCC1CN1CCCCC1
InChIInChI=1S/C23H43NO/c25-23(21-14-9-10-15-21)17-11-6-4-2-1-3-5-8-16-22(23)20-24-18-12-7-13-19-24/h21-22,25H,1-20H2
InChIKeyVPMPJEPUEDNUQK-UHFFFAOYSA-N
XLogP5.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
The IUPAC name of 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol (CID 10308929) is 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol.
What is the SMILES notation for 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
The canonical SMILES for 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol is OC1(C2CCCC2)CCCCCCCCCCC1CN1CCCCC1.
What is the InChIKey of 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
The InChIKey is VPMPJEPUEDNUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO/c25-23(21-14-9-10-15-21)17-11-6-4-2-1-3-5-8-16-22(23)20-24-18-12-7-13-19-24/h21-22,25H,1-20H2.
What are the key properties of 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol?
1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol has a molecular weight of 349.60 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(piperidin-1-ylmethyl)cyclododecan-1-ol is sourced from PubChem (CID 10308929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).