3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol

C16H29NO — CID 79060210

IUPAC3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol
SMILESC=C(CC)CC(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H29NO/c1-3-14(2)13-15(18)16(9-5-6-10-16)17-11-7-4-8-12-17/h15,18H,2-13H2,1H3
InChIKeyJVGYIUKCHPOXAG-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds5

About 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol

3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol (PubChem CID 79060210) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol.

Molecular Properties

Compound Name3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol
PubChem CID79060210
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol
SMILESC=C(CC)CC(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H29NO/c1-3-14(2)13-15(18)16(9-5-6-10-16)17-11-7-4-8-12-17/h15,18H,2-13H2,1H3
InChIKeyJVGYIUKCHPOXAG-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol?
The IUPAC name of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol (CID 79060210) is 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol.
What is the SMILES notation for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol?
The canonical SMILES for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol is C=C(CC)CC(O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol?
The InChIKey is JVGYIUKCHPOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-14(2)13-15(18)16(9-5-6-10-16)17-11-7-4-8-12-17/h15,18H,2-13H2,1H3.
What are the key properties of 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol?
3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(1-piperidin-1-ylcyclopentyl)pentan-1-ol is sourced from PubChem (CID 79060210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).