[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone

C19H27FN2O2 — CID 95290672

IUPAC[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESC[C@H]1CN(CC2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H27FN2O2/c1-14-11-21(12-15(2)24-14)13-16-7-9-22(10-8-16)19(23)17-3-5-18(20)6-4-17/h3-6,14-16H,7-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyRYZVLXZAFNMVPH-GJZGRUSLSA-N
MW334.44 g/mol
LogP2.79
Rot. Bonds3

About [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone

[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 95290672) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID95290672
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESC[C@H]1CN(CC2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H27FN2O2/c1-14-11-21(12-15(2)24-14)13-16-7-9-22(10-8-16)19(23)17-3-5-18(20)6-4-17/h3-6,14-16H,7-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyRYZVLXZAFNMVPH-GJZGRUSLSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

[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-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95305749
[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-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124606178
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
(4-fluorophenyl)-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126774093
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 55623150
methyl 5-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carbonyl]furan-3-carboxylate
CID 97306458
1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone
CID 176683805

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 95290672) is [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone is C[C@H]1CN(CC2CCN(C(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1.
What is the InChIKey of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is RYZVLXZAFNMVPH-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14-11-21(12-15(2)24-14)13-16-7-9-22(10-8-16)19(23)17-3-5-18(20)6-4-17/h3-6,14-16H,7-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 334.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 95290672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).