N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine

C13H23N3 — CID 115209739

IUPACN-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCN(CCc1cc[nH]c1)CC1CCCNC1
InChIInChI=1S/C13H23N3/c1-16(8-5-12-4-7-15-9-12)11-13-3-2-6-14-10-13/h4,7,9,13-15H,2-3,5-6,8,10-11H2,1H3
InChIKeyQAYNFWSOMWFXGR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.49
Rot. Bonds5

About N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine

N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 115209739) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID115209739
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCN(CCc1cc[nH]c1)CC1CCCNC1
InChIInChI=1S/C13H23N3/c1-16(8-5-12-4-7-15-9-12)11-13-3-2-6-14-10-13/h4,7,9,13-15H,2-3,5-6,8,10-11H2,1H3
InChIKeyQAYNFWSOMWFXGR-UHFFFAOYSA-N
XLogP1.49
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine
CID 106636462
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239943
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
N-methyl-N-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-3-yl)butanamide
CID 115272356
N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one
CID 106637121
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine (CID 115209739) is N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine is CN(CCc1cc[nH]c1)CC1CCCNC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is QAYNFWSOMWFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-16(8-5-12-4-7-15-9-12)11-13-3-2-6-14-10-13/h4,7,9,13-15H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine?
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 115209739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).