(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone

C17H24FNO2 — CID 96575750

IUPAC(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C17H24FNO2/c1-13-8-9-14(12-16(13)18)17(20)19-10-4-3-6-15(19)7-5-11-21-2/h8-9,12,15H,3-7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyUMDQLLSPLFKXAB-HNNXBMFYSA-N
MW293.38 g/mol
LogP3.56
Rot. Bonds5

About (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 96575750) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID96575750
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C17H24FNO2/c1-13-8-9-14(12-16(13)18)17(20)19-10-4-3-6-15(19)7-5-11-21-2/h8-9,12,15H,3-7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyUMDQLLSPLFKXAB-HNNXBMFYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
[2-(2-chloroethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63393830
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97113189
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63766326
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
CID 97279136
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 96575750) is (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@@H]1CCCCN1C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is UMDQLLSPLFKXAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13-8-9-14(12-16(13)18)17(20)19-10-4-3-6-15(19)7-5-11-21-2/h8-9,12,15H,3-7,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 293.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 96575750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).