1-pentylpiperidin-4-ol

C10H21NO — CID 15896121

IUPAC1-pentylpiperidin-4-ol
SMILESCCCCCN1CCC(O)CC1
InChIInChI=1S/C10H21NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h10,12H,2-9H2,1H3
InChIKeyLKHKXWLVLVBJDW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds4

About 1-pentylpiperidin-4-ol

1-pentylpiperidin-4-ol (PubChem CID 15896121) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-pentylpiperidin-4-ol.

Molecular Properties

Compound Name1-pentylpiperidin-4-ol
PubChem CID15896121
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-pentylpiperidin-4-ol
SMILESCCCCCN1CCC(O)CC1
InChIInChI=1S/C10H21NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h10,12H,2-9H2,1H3
InChIKeyLKHKXWLVLVBJDW-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentylpiperidin-4-ol?
The IUPAC name of 1-pentylpiperidin-4-ol (CID 15896121) is 1-pentylpiperidin-4-ol.
What is the SMILES notation for 1-pentylpiperidin-4-ol?
The canonical SMILES for 1-pentylpiperidin-4-ol is CCCCCN1CCC(O)CC1.
What is the InChIKey of 1-pentylpiperidin-4-ol?
The InChIKey is LKHKXWLVLVBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h10,12H,2-9H2,1H3.
What are the key properties of 1-pentylpiperidin-4-ol?
1-pentylpiperidin-4-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpiperidin-4-ol is sourced from PubChem (CID 15896121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).