3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol

C16H31NO — CID 10149228

IUPAC3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol
SMILESCCC(O)(C(C)CN1CCCCC1)C1CCCC1
InChIInChI=1S/C16H31NO/c1-3-16(18,15-9-5-6-10-15)14(2)13-17-11-7-4-8-12-17/h14-15,18H,3-13H2,1-2H3
InChIKeyVBWSFCULCHVIKD-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds5

About 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol

3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol (PubChem CID 10149228) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol
PubChem CID10149228
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol
SMILESCCC(O)(C(C)CN1CCCCC1)C1CCCC1
InChIInChI=1S/C16H31NO/c1-3-16(18,15-9-5-6-10-15)14(2)13-17-11-7-4-8-12-17/h14-15,18H,3-13H2,1-2H3
InChIKeyVBWSFCULCHVIKD-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol?
The IUPAC name of 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol (CID 10149228) is 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol.
What is the SMILES notation for 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol?
The canonical SMILES for 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol is CCC(O)(C(C)CN1CCCCC1)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol?
The InChIKey is VBWSFCULCHVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-16(18,15-9-5-6-10-15)14(2)13-17-11-7-4-8-12-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol?
3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-1-piperidin-1-ylpentan-3-ol is sourced from PubChem (CID 10149228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).