1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one

C17H25NO — CID 669876

IUPAC1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-14(2)12-17(19)18-10-8-16(9-11-18)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyDCFKCGDSKXYYQW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one

1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 669876) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID669876
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-14(2)12-17(19)18-10-8-16(9-11-18)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyDCFKCGDSKXYYQW-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 13728
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CID 17076
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CID 65996
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CID 96437
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CID 760213
CID 760213
CID 897567
CID 897567
CID 3043002
CID 3043002
CID 299608
CID 299608
CID 526655
CID 526655
CID 6447699
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CID 6116364
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CID 290550
CID 290550

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one (CID 669876) is 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is DCFKCGDSKXYYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)12-17(19)18-10-8-16(9-11-18)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one?
1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 669876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).