[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride

C21H27ClN2O2 — CID 119597209

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1CN.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16-7-6-12-23(20(16)14-22)21(24)18-10-5-11-19(13-18)25-15-17-8-3-2-4-9-17;/h2-5,8-11,13,16,20H,6-7,12,14-15,22H2,1H3;1H
InChIKeyISDNQQZBGJXGNR-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.89
Rot. Bonds5

About [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride (PubChem CID 119597209) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
PubChem CID119597209
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1CN.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16-7-6-12-23(20(16)14-22)21(24)18-10-5-11-19(13-18)25-15-17-8-3-2-4-9-17;/h2-5,8-11,13,16,20H,6-7,12,14-15,22H2,1H3;1H
InChIKeyISDNQQZBGJXGNR-UHFFFAOYSA-N
XLogP3.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119597340
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102783612
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-benzyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119597371
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride (CID 119597209) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride is CC1CCCN(C(=O)c2cccc(OCc3ccccc3)c2)C1CN.Cl.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride?
The InChIKey is ISDNQQZBGJXGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-16-7-6-12-23(20(16)14-22)21(24)18-10-5-11-19(13-18)25-15-17-8-3-2-4-9-17;/h2-5,8-11,13,16,20H,6-7,12,14-15,22H2,1H3;1H.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119597209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).