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

C16H21ClN2O2 — CID 119597356

IUPAC[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2coc3ccccc23)C1CN.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-11-5-4-8-18(14(11)9-17)16(19)13-10-20-15-7-3-2-6-12(13)15;/h2-3,6-7,10-11,14H,4-5,8-9,17H2,1H3;1H
InChIKeyPMTYIIZUNPPVKA-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.05
Rot. Bonds2

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

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride (PubChem CID 119597356) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride
PubChem CID119597356
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride
SMILESCC1CCCN(C(=O)c2coc3ccccc23)C1CN.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-11-5-4-8-18(14(11)9-17)16(19)13-10-20-15-7-3-2-6-12(13)15;/h2-3,6-7,10-11,14H,4-5,8-9,17H2,1H3;1H
InChIKeyPMTYIIZUNPPVKA-UHFFFAOYSA-N
XLogP3.05
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775843
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119597116
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95357633
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-chloro-3-fluorophenyl)methanone
CID 124603271
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119597192
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443535
3-[(2S,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124592707

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride (CID 119597356) is [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride is CC1CCCN(C(=O)c2coc3ccccc23)C1CN.Cl.
What is the InChIKey of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride?
The InChIKey is PMTYIIZUNPPVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-11-5-4-8-18(14(11)9-17)16(19)13-10-20-15-7-3-2-6-12(13)15;/h2-3,6-7,10-11,14H,4-5,8-9,17H2,1H3;1H.
What are the key properties of [2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride?
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.05, 2 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]-(1-benzofuran-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119597356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).