1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one

C15H25N3O — CID 115270787

IUPAC1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
SMILESCC1(CN)CCCCN1C(=O)CCCc1cc[nH]c1
InChIInChI=1S/C15H25N3O/c1-15(12-16)8-2-3-10-18(15)14(19)6-4-5-13-7-9-17-11-13/h7,9,11,17H,2-6,8,10,12,16H2,1H3
InChIKeyRTIOUPRKLBHWJN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one

1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one (PubChem CID 115270787) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
PubChem CID115270787
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
SMILESCC1(CN)CCCCN1C(=O)CCCc1cc[nH]c1
InChIInChI=1S/C15H25N3O/c1-15(12-16)8-2-3-10-18(15)14(19)6-4-5-13-7-9-17-11-13/h7,9,11,17H,2-6,8,10,12,16H2,1H3
InChIKeyRTIOUPRKLBHWJN-UHFFFAOYSA-N
XLogP2.07
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-2-(methylaminomethyl)piperidin-1-yl]-3-(1H-pyrrol-3-yl)propan-1-one
CID 115270824
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115275807
3,3-dimethyl-1-[4-(1H-pyrrol-3-yl)butanoyl]piperidin-4-one
CID 115276631
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
1-[4-(1H-pyrrol-3-yl)butanoyl]piperidine-3-carboxylic acid
CID 82486332
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
CID 115270720
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115276022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one (CID 115270787) is 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one is CC1(CN)CCCCN1C(=O)CCCc1cc[nH]c1.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one?
The InChIKey is RTIOUPRKLBHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(12-16)8-2-3-10-18(15)14(19)6-4-5-13-7-9-17-11-13/h7,9,11,17H,2-6,8,10,12,16H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one?
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.07, 5 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]-4-(1H-pyrrol-3-yl)butan-1-one is sourced from PubChem (CID 115270787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).