[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

C12H19N3O — CID 119469360

IUPAC[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCCCC1CN
InChIInChI=1S/C12H19N3O/c1-9-11(5-6-14-9)12(16)15-7-3-2-4-10(15)8-13/h5-6,10,14H,2-4,7-8,13H2,1H3
InChIKeyMXPPPYBSTPHMHP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.28
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 119469360) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID119469360
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCCCC1CN
InChIInChI=1S/C12H19N3O/c1-9-11(5-6-14-9)12(16)15-7-3-2-4-10(15)8-13/h5-6,10,14H,2-4,7-8,13H2,1H3
InChIKeyMXPPPYBSTPHMHP-UHFFFAOYSA-N
XLogP1.28
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 75387551
[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 97240205
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
[2-(aminomethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone;hydrochloride
CID 119467434
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119631123
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
[2-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119468484
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (CID 119469360) is [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is Cc1[nH]ccc1C(=O)N1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is MXPPPYBSTPHMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(5-6-14-9)12(16)15-7-3-2-4-10(15)8-13/h5-6,10,14H,2-4,7-8,13H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.28, 2 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]-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 119469360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).