(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one

C14H17BrClNO — CID 97355460

IUPAC(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)[C@H](Br)CN1CCCCC1
InChIInChI=1S/C14H17BrClNO/c15-13(10-17-8-2-1-3-9-17)14(18)11-4-6-12(16)7-5-11/h4-7,13H,1-3,8-10H2/t13-/m1/s1
InChIKeyHUSKVFNKJHDQOZ-CYBMUJFWSA-N
MW330.65 g/mol
LogP3.77
Rot. Bonds4

About (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one

(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 97355460) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID97355460
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)[C@H](Br)CN1CCCCC1
InChIInChI=1S/C14H17BrClNO/c15-13(10-17-8-2-1-3-9-17)14(18)11-4-6-12(16)7-5-11/h4-7,13H,1-3,8-10H2/t13-/m1/s1
InChIKeyHUSKVFNKJHDQOZ-CYBMUJFWSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 13082308
2-bromo-1-(4-chlorophenyl)-3-cyclopentylpropan-1-one
CID 91437735
1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952373
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
2,3-dibromo-1,4-bis(4-chlorophenyl)butane-1,4-dione
CID 12544461
ethyl 4-bromo-5-(4-chlorophenyl)-5-oxopentanoate
CID 18671703
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 10825696
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025
(4-chlorophenyl)-piperidin-1-ylmethanethione
CID 617434

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one (CID 97355460) is (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one is O=C(c1ccc(Cl)cc1)[C@H](Br)CN1CCCCC1.
What is the InChIKey of (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is HUSKVFNKJHDQOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-13(10-17-8-2-1-3-9-17)14(18)11-4-6-12(16)7-5-11/h4-7,13H,1-3,8-10H2/t13-/m1/s1.
What are the key properties of (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one?
(2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 330.65 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 97355460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).