1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one

C14H23N3O — CID 115270770

IUPAC1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC1(CN)CCCCN1C(=O)CCc1ccc[nH]1
InChIInChI=1S/C14H23N3O/c1-14(11-15)8-2-3-10-17(14)13(18)7-6-12-5-4-9-16-12/h4-5,9,16H,2-3,6-8,10-11,15H2,1H3
InChIKeyLTVCKUGOTFQKEP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.68
Rot. Bonds4

About 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one

1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 115270770) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID115270770
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC1(CN)CCCCN1C(=O)CCc1ccc[nH]1
InChIInChI=1S/C14H23N3O/c1-14(11-15)8-2-3-10-17(14)13(18)7-6-12-5-4-9-16-12/h4-5,9,16H,2-3,6-8,10-11,15H2,1H3
InChIKeyLTVCKUGOTFQKEP-UHFFFAOYSA-N
XLogP1.68
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787
1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115273150
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 115270809
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115276035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one (CID 115270770) is 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one is CC1(CN)CCCCN1C(=O)CCc1ccc[nH]1.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is LTVCKUGOTFQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(11-15)8-2-3-10-17(14)13(18)7-6-12-5-4-9-16-12/h4-5,9,16H,2-3,6-8,10-11,15H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one?
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 249.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 115270770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).