1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine

C12H21N3 — CID 66410289

IUPAC1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCN1CCCC(CNCc2cc[nH]c2)C1
InChIInChI=1S/C12H21N3/c1-15-6-2-3-12(10-15)9-14-8-11-4-5-13-7-11/h4-5,7,12-14H,2-3,6,8-10H2,1H3
InChIKeyLVUNADXCCSYKGH-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.45
Rot. Bonds4

About 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine

1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine (PubChem CID 66410289) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
PubChem CID66410289
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
SMILESCN1CCCC(CNCc2cc[nH]c2)C1
InChIInChI=1S/C12H21N3/c1-15-6-2-3-12(10-15)9-14-8-11-4-5-13-7-11/h4-5,7,12-14H,2-3,6,8-10H2,1H3
InChIKeyLVUNADXCCSYKGH-UHFFFAOYSA-N
XLogP1.45
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408267
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77032157
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 66409208
2-[4-[[(1-methylpiperidin-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103244431
2-cyclobutyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385129
1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 115686102

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine (CID 66410289) is 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine is CN1CCCC(CNCc2cc[nH]c2)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
The InChIKey is LVUNADXCCSYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15-6-2-3-12(10-15)9-14-8-11-4-5-13-7-11/h4-5,7,12-14H,2-3,6,8-10H2,1H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine?
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine is sourced from PubChem (CID 66410289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).