[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride

C21H27ClN2O2 — CID 119396946

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccccc2COc2ccccc2)C1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-22-14-17-8-7-13-23(15-17)21(24)20-12-6-5-9-18(20)16-25-19-10-3-2-4-11-19;/h2-6,9-12,17,22H,7-8,13-16H2,1H3;1H
InChIKeyXPYKQMUEFSEPRG-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.76
Rot. Bonds6

About [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride

[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride (PubChem CID 119396946) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
PubChem CID119396946
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccccc2COc2ccccc2)C1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-22-14-17-8-7-13-23(15-17)21(24)20-12-6-5-9-18(20)16-25-19-10-3-2-4-11-19;/h2-6,9-12,17,22H,7-8,13-16H2,1H3;1H
InChIKeyXPYKQMUEFSEPRG-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 111561150
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
1-[3-(methylaminomethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119394761
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
[3-(methylaminomethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
CID 119396598
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride (CID 119396946) is [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride is CNCC1CCCN(C(=O)c2ccccc2COc2ccccc2)C1.Cl.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride?
The InChIKey is XPYKQMUEFSEPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-22-14-17-8-7-13-23(15-17)21(24)20-12-6-5-9-18(20)16-25-19-10-3-2-4-11-19;/h2-6,9-12,17,22H,7-8,13-16H2,1H3;1H.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride?
[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119396946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).