[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

C20H29FN2O2 — CID 95305749

IUPAC[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F
InChIInChI=1S/C20H29FN2O2/c1-14-4-5-18(10-19(14)21)20(24)23-8-6-17(7-9-23)13-22-11-15(2)25-16(3)12-22/h4-5,10,15-17H,6-9,11-13H2,1-3H3/t15-,16+
InChIKeyVYMFDYLAOSLMEL-IYBDPMFKSA-N
MW348.46 g/mol
LogP3.10
Rot. Bonds3

About [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 95305749) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID95305749
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F
InChIInChI=1S/C20H29FN2O2/c1-14-4-5-18(10-19(14)21)20(24)23-8-6-17(7-9-23)13-22-11-15(2)25-16(3)12-22/h4-5,10,15-17H,6-9,11-13H2,1-3H3/t15-,16+
InChIKeyVYMFDYLAOSLMEL-IYBDPMFKSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone with MolForge

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Related Compounds

[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290672
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290673
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 114683526
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
(3,4-difluorophenyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 51094368
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150447
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (CID 95305749) is [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F.
What is the InChIKey of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is VYMFDYLAOSLMEL-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-14-4-5-18(10-19(14)21)20(24)23-8-6-17(7-9-23)13-22-11-15(2)25-16(3)12-22/h4-5,10,15-17H,6-9,11-13H2,1-3H3/t15-,16+.
What are the key properties of [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 348.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 95305749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).