(4-ethenyl-1-pentylpiperidin-4-yl)methanol

C13H25NO — CID 167131750

IUPAC(4-ethenyl-1-pentylpiperidin-4-yl)methanol
SMILESC=CC1(CO)CCN(CCCCC)CC1
InChIInChI=1S/C13H25NO/c1-3-5-6-9-14-10-7-13(4-2,12-15)8-11-14/h4,15H,2-3,5-12H2,1H3
InChIKeyAQUCYFOPSVRSMR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds6

About (4-ethenyl-1-pentylpiperidin-4-yl)methanol

(4-ethenyl-1-pentylpiperidin-4-yl)methanol (PubChem CID 167131750) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (4-ethenyl-1-pentylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-1-pentylpiperidin-4-yl)methanol
PubChem CID167131750
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(4-ethenyl-1-pentylpiperidin-4-yl)methanol
SMILESC=CC1(CO)CCN(CCCCC)CC1
InChIInChI=1S/C13H25NO/c1-3-5-6-9-14-10-7-13(4-2,12-15)8-11-14/h4,15H,2-3,5-12H2,1H3
InChIKeyAQUCYFOPSVRSMR-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-1-pentylpiperidin-4-yl)methanol?
The IUPAC name of (4-ethenyl-1-pentylpiperidin-4-yl)methanol (CID 167131750) is (4-ethenyl-1-pentylpiperidin-4-yl)methanol.
What is the SMILES notation for (4-ethenyl-1-pentylpiperidin-4-yl)methanol?
The canonical SMILES for (4-ethenyl-1-pentylpiperidin-4-yl)methanol is C=CC1(CO)CCN(CCCCC)CC1.
What is the InChIKey of (4-ethenyl-1-pentylpiperidin-4-yl)methanol?
The InChIKey is AQUCYFOPSVRSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-9-14-10-7-13(4-2,12-15)8-11-14/h4,15H,2-3,5-12H2,1H3.
What are the key properties of (4-ethenyl-1-pentylpiperidin-4-yl)methanol?
(4-ethenyl-1-pentylpiperidin-4-yl)methanol has a molecular weight of 211.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-1-pentylpiperidin-4-yl)methanol is sourced from PubChem (CID 167131750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).