[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone

C15H18ClNO2 — CID 154879762

IUPAC[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
SMILESO=C(C1CO1)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO2/c16-13-3-1-11(2-4-13)9-12-5-7-17(8-6-12)15(18)14-10-19-14/h1-4,12,14H,5-10H2
InChIKeyMKUPGYXQXCUSPJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.52
Rot. Bonds3

About [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone

[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone (PubChem CID 154879762) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
PubChem CID154879762
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
SMILESO=C(C1CO1)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO2/c16-13-3-1-11(2-4-13)9-12-5-7-17(8-6-12)15(18)14-10-19-14/h1-4,12,14H,5-10H2
InChIKeyMKUPGYXQXCUSPJ-UHFFFAOYSA-N
XLogP2.52
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
CID 23587608
2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 109140259
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone
CID 75584204
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 91911366
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone
CID 19372732
3-(4-chlorophenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 108556607
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone (CID 154879762) is [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone is O=C(C1CO1)N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone?
The InChIKey is MKUPGYXQXCUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-13-3-1-11(2-4-13)9-12-5-7-17(8-6-12)15(18)14-10-19-14/h1-4,12,14H,5-10H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone?
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone has a molecular weight of 279.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone is sourced from PubChem (CID 154879762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).