3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one

C17H25NO2 — CID 145155415

IUPAC3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
SMILESCCC(C(C)=O)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-3-16(14(2)19)17(20)9-11-18(12-10-17)13-15-7-5-4-6-8-15/h4-8,16,20H,3,9-13H2,1-2H3
InChIKeyCIGNEVKQKFKHRQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.63
Rot. Bonds5

About 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one

3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one (PubChem CID 145155415) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
PubChem CID145155415
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
SMILESCCC(C(C)=O)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-3-16(14(2)19)17(20)9-11-18(12-10-17)13-15-7-5-4-6-8-15/h4-8,16,20H,3,9-13H2,1-2H3
InChIKeyCIGNEVKQKFKHRQ-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol
CID 165448564
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one?
The IUPAC name of 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one (CID 145155415) is 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one.
What is the SMILES notation for 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one?
The canonical SMILES for 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one is CCC(C(C)=O)C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one?
The InChIKey is CIGNEVKQKFKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-16(14(2)19)17(20)9-11-18(12-10-17)13-15-7-5-4-6-8-15/h4-8,16,20H,3,9-13H2,1-2H3.
What are the key properties of 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one?
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one has a molecular weight of 275.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one is sourced from PubChem (CID 145155415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).