1-(2-pentylheptyl)piperidin-4-ol

C17H35NO — CID 70599715

IUPAC1-(2-pentylheptyl)piperidin-4-ol
SMILESCCCCCC(CCCCC)CN1CCC(O)CC1
InChIInChI=1S/C17H35NO/c1-3-5-7-9-16(10-8-6-4-2)15-18-13-11-17(19)12-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyYBSCIHYCGKDCEG-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.22
Rot. Bonds10

About 1-(2-pentylheptyl)piperidin-4-ol

1-(2-pentylheptyl)piperidin-4-ol (PubChem CID 70599715) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-(2-pentylheptyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-pentylheptyl)piperidin-4-ol
PubChem CID70599715
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-(2-pentylheptyl)piperidin-4-ol
SMILESCCCCCC(CCCCC)CN1CCC(O)CC1
InChIInChI=1S/C17H35NO/c1-3-5-7-9-16(10-8-6-4-2)15-18-13-11-17(19)12-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyYBSCIHYCGKDCEG-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-pentylheptyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-pentylheptyl)piperidin-4-ol?
The IUPAC name of 1-(2-pentylheptyl)piperidin-4-ol (CID 70599715) is 1-(2-pentylheptyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-pentylheptyl)piperidin-4-ol?
The canonical SMILES for 1-(2-pentylheptyl)piperidin-4-ol is CCCCCC(CCCCC)CN1CCC(O)CC1.
What is the InChIKey of 1-(2-pentylheptyl)piperidin-4-ol?
The InChIKey is YBSCIHYCGKDCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-5-7-9-16(10-8-6-4-2)15-18-13-11-17(19)12-14-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-(2-pentylheptyl)piperidin-4-ol?
1-(2-pentylheptyl)piperidin-4-ol has a molecular weight of 269.47 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentylheptyl)piperidin-4-ol is sourced from PubChem (CID 70599715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).