[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C17H23ClN2O2 — CID 4535496

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C17H23ClN2O2/c18-16-3-1-14(2-4-16)13-19-7-5-15(6-8-19)17(21)20-9-11-22-12-10-20/h1-4,15H,5-13H2
InChIKeyFSFKYDUDHGTDLV-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.41
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 4535496) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID4535496
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C17H23ClN2O2/c18-16-3-1-14(2-4-16)13-19-7-5-15(6-8-19)17(21)20-9-11-22-12-10-20/h1-4,15H,5-13H2
InChIKeyFSFKYDUDHGTDLV-UHFFFAOYSA-N
XLogP2.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 45018644
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 60543938
2-[[(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methylidene]amino]oxy-1-morpholin-4-ylethanone
CID 59275091
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 4535496) is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOCC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is FSFKYDUDHGTDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-16-3-1-14(2-4-16)13-19-7-5-15(6-8-19)17(21)20-9-11-22-12-10-20/h1-4,15H,5-13H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 322.84 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4535496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).