[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride

C17H22ClN3O — CID 119467848

IUPAC[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H21N3O.ClH/c18-12-14-8-4-5-11-20(14)17(21)16-10-9-15(19-16)13-6-2-1-3-7-13;/h1-3,6-7,9-10,14,19H,4-5,8,11-12,18H2;1H
InChIKeyLPYPDLJMGGSVRT-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.06
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride (PubChem CID 119467848) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride
PubChem CID119467848
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H21N3O.ClH/c18-12-14-8-4-5-11-20(14)17(21)16-10-9-15(19-16)13-6-2-1-3-7-13;/h1-3,6-7,9-10,14,19H,4-5,8,11-12,18H2;1H
InChIKeyLPYPDLJMGGSVRT-UHFFFAOYSA-N
XLogP3.06
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
N-(2-aminoethyl)-1-(5-phenyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480719
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124696902
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 113322539

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride (CID 119467848) is [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride is Cl.NCC1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride?
The InChIKey is LPYPDLJMGGSVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.ClH/c18-12-14-8-4-5-11-20(14)17(21)16-10-9-15(19-16)13-6-2-1-3-7-13;/h1-3,6-7,9-10,14,19H,4-5,8,11-12,18H2;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119467848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).