1-[(3,5-dichlorophenyl)methyl]piperidin-4-one

C12H13Cl2NO — CID 11959623

IUPAC1-[(3,5-dichlorophenyl)methyl]piperidin-4-one
SMILESO=C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H13Cl2NO/c13-10-5-9(6-11(14)7-10)8-15-3-1-12(16)2-4-15/h5-7H,1-4,8H2
InChIKeyZUNHUBDZBOUNOC-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.16
Rot. Bonds2

About 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one

1-[(3,5-dichlorophenyl)methyl]piperidin-4-one (PubChem CID 11959623) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]piperidin-4-one
PubChem CID11959623
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-[(3,5-dichlorophenyl)methyl]piperidin-4-one
SMILESO=C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C12H13Cl2NO/c13-10-5-9(6-11(14)7-10)8-15-3-1-12(16)2-4-15/h5-7H,1-4,8H2
InChIKeyZUNHUBDZBOUNOC-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-difluorophenyl)methyl]piperidin-4-one
CID 23218606
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-one
CID 59534346
1-benzylpiperidin-4-one;butane
CID 70571840
1-[(3,5-dichlorophenyl)methyl]-1,4-diazepane
CID 61058216
4-[(4-oxopiperidin-1-yl)methyl]benzonitrile
CID 10921862
4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine
CID 118657687
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
1-[(3,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65071689
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
1-[(3,5-dichlorophenyl)methyl]-3-propan-2-ylidenepiperidine
CID 134241853

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one (CID 11959623) is 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one is O=C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one?
The InChIKey is ZUNHUBDZBOUNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-10-5-9(6-11(14)7-10)8-15-3-1-12(16)2-4-15/h5-7H,1-4,8H2.
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one?
1-[(3,5-dichlorophenyl)methyl]piperidin-4-one has a molecular weight of 258.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]piperidin-4-one is sourced from PubChem (CID 11959623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).