[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone

C18H28N2O3 — CID 111432744

IUPAC[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCOCC(O)CN(C)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-19(13-17(21)14-23-2)12-15-7-6-8-16(11-15)18(22)20-9-4-3-5-10-20/h6-8,11,17,21H,3-5,9-10,12-14H2,1-2H3
InChIKeyFKPYCDMPHAYKAI-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.75
Rot. Bonds7

About [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 111432744) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID111432744
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCOCC(O)CN(C)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-19(13-17(21)14-23-2)12-15-7-6-8-16(11-15)18(22)20-9-4-3-5-10-20/h6-8,11,17,21H,3-5,9-10,12-14H2,1-2H3
InChIKeyFKPYCDMPHAYKAI-UHFFFAOYSA-N
XLogP1.75
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
[3-[[methyl-[2-(N-methylanilino)ethyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 136524367
2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119913340
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
CID 96540781
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
[3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 87023404
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
methyl 2-[[(1S)-1-phenylpropyl]-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]acetate
CID 97025897
[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
CID 126764258

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone (CID 111432744) is [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone is COCC(O)CN(C)Cc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is FKPYCDMPHAYKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-19(13-17(21)14-23-2)12-15-7-6-8-16(11-15)18(22)20-9-4-3-5-10-20/h6-8,11,17,21H,3-5,9-10,12-14H2,1-2H3.
What are the key properties of [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 320.43 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 111432744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).