4-(1-phenylpentan-2-yl)piperidin-4-ol

C16H25NO — CID 70117734

IUPAC4-(1-phenylpentan-2-yl)piperidin-4-ol
SMILESCCCC(Cc1ccccc1)C1(O)CCNCC1
InChIInChI=1S/C16H25NO/c1-2-6-15(13-14-7-4-3-5-8-14)16(18)9-11-17-12-10-16/h3-5,7-8,15,17-18H,2,6,9-13H2,1H3
InChIKeySKKYRCNPBLIQLT-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.76
Rot. Bonds5

About 4-(1-phenylpentan-2-yl)piperidin-4-ol

4-(1-phenylpentan-2-yl)piperidin-4-ol (PubChem CID 70117734) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(1-phenylpentan-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1-phenylpentan-2-yl)piperidin-4-ol
PubChem CID70117734
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(1-phenylpentan-2-yl)piperidin-4-ol
SMILESCCCC(Cc1ccccc1)C1(O)CCNCC1
InChIInChI=1S/C16H25NO/c1-2-6-15(13-14-7-4-3-5-8-14)16(18)9-11-17-12-10-16/h3-5,7-8,15,17-18H,2,6,9-13H2,1H3
InChIKeySKKYRCNPBLIQLT-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpentan-2-yl)piperidin-4-ol?
The IUPAC name of 4-(1-phenylpentan-2-yl)piperidin-4-ol (CID 70117734) is 4-(1-phenylpentan-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(1-phenylpentan-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(1-phenylpentan-2-yl)piperidin-4-ol is CCCC(Cc1ccccc1)C1(O)CCNCC1.
What is the InChIKey of 4-(1-phenylpentan-2-yl)piperidin-4-ol?
The InChIKey is SKKYRCNPBLIQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-6-15(13-14-7-4-3-5-8-14)16(18)9-11-17-12-10-16/h3-5,7-8,15,17-18H,2,6,9-13H2,1H3.
What are the key properties of 4-(1-phenylpentan-2-yl)piperidin-4-ol?
4-(1-phenylpentan-2-yl)piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpentan-2-yl)piperidin-4-ol is sourced from PubChem (CID 70117734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).