4-pentan-2-yl-1-phenylpiperidin-4-ol

C16H25NO — CID 114013455

IUPAC4-pentan-2-yl-1-phenylpiperidin-4-ol
SMILESCCCC(C)C1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-3-7-14(2)16(18)10-12-17(13-11-16)15-8-5-4-6-9-15/h4-6,8-9,14,18H,3,7,10-13H2,1-2H3
InChIKeyKTRXTCYUQXDTNQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.45
Rot. Bonds4

About 4-pentan-2-yl-1-phenylpiperidin-4-ol

4-pentan-2-yl-1-phenylpiperidin-4-ol (PubChem CID 114013455) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-pentan-2-yl-1-phenylpiperidin-4-ol.

Molecular Properties

Compound Name4-pentan-2-yl-1-phenylpiperidin-4-ol
PubChem CID114013455
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-pentan-2-yl-1-phenylpiperidin-4-ol
SMILESCCCC(C)C1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-3-7-14(2)16(18)10-12-17(13-11-16)15-8-5-4-6-9-15/h4-6,8-9,14,18H,3,7,10-13H2,1-2H3
InChIKeyKTRXTCYUQXDTNQ-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yl-1-phenylpiperidin-4-ol?
The IUPAC name of 4-pentan-2-yl-1-phenylpiperidin-4-ol (CID 114013455) is 4-pentan-2-yl-1-phenylpiperidin-4-ol.
What is the SMILES notation for 4-pentan-2-yl-1-phenylpiperidin-4-ol?
The canonical SMILES for 4-pentan-2-yl-1-phenylpiperidin-4-ol is CCCC(C)C1(O)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-pentan-2-yl-1-phenylpiperidin-4-ol?
The InChIKey is KTRXTCYUQXDTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-7-14(2)16(18)10-12-17(13-11-16)15-8-5-4-6-9-15/h4-6,8-9,14,18H,3,7,10-13H2,1-2H3.
What are the key properties of 4-pentan-2-yl-1-phenylpiperidin-4-ol?
4-pentan-2-yl-1-phenylpiperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yl-1-phenylpiperidin-4-ol is sourced from PubChem (CID 114013455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).