1-(4-pentan-2-ylphenyl)piperidin-4-ol

C16H25NO — CID 166926420

IUPAC1-(4-pentan-2-ylphenyl)piperidin-4-ol
SMILESCCCC(C)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-4-13(2)14-5-7-15(8-6-14)17-11-9-16(18)10-12-17/h5-8,13,16,18H,3-4,9-12H2,1-2H3
InChIKeyTZNCJZPWTJHSIP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-pentan-2-ylphenyl)piperidin-4-ol

1-(4-pentan-2-ylphenyl)piperidin-4-ol (PubChem CID 166926420) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-pentan-2-ylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-pentan-2-ylphenyl)piperidin-4-ol
PubChem CID166926420
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-pentan-2-ylphenyl)piperidin-4-ol
SMILESCCCC(C)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO/c1-3-4-13(2)14-5-7-15(8-6-14)17-11-9-16(18)10-12-17/h5-8,13,16,18H,3-4,9-12H2,1-2H3
InChIKeyTZNCJZPWTJHSIP-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
4-[4-(4-ethylpiperidin-1-yl)phenyl]-N-formylpentanamide
CID 166947852
1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
4-[4-(4-acetylpiperidin-1-yl)phenyl]-1-(4-propan-2-ylphenyl)pentan-1-one
CID 138492366
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol
CID 114066923
4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
CID 176934369

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentan-2-ylphenyl)piperidin-4-ol?
The IUPAC name of 1-(4-pentan-2-ylphenyl)piperidin-4-ol (CID 166926420) is 1-(4-pentan-2-ylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-pentan-2-ylphenyl)piperidin-4-ol?
The canonical SMILES for 1-(4-pentan-2-ylphenyl)piperidin-4-ol is CCCC(C)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-pentan-2-ylphenyl)piperidin-4-ol?
The InChIKey is TZNCJZPWTJHSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-13(2)14-5-7-15(8-6-14)17-11-9-16(18)10-12-17/h5-8,13,16,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-pentan-2-ylphenyl)piperidin-4-ol?
1-(4-pentan-2-ylphenyl)piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentan-2-ylphenyl)piperidin-4-ol is sourced from PubChem (CID 166926420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).