N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine

C13H23N3 — CID 116906796

IUPACN,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
SMILESCN(C)C(CC1CCCCN1)c1ccc[nH]1
InChIInChI=1S/C13H23N3/c1-16(2)13(12-7-5-9-15-12)10-11-6-3-4-8-14-11/h5,7,9,11,13-15H,3-4,6,8,10H2,1-2H3
InChIKeyNRMXFEMRHGCXIE-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.15
Rot. Bonds4

About N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine

N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine (PubChem CID 116906796) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
PubChem CID116906796
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
SMILESCN(C)C(CC1CCCCN1)c1ccc[nH]1
InChIInChI=1S/C13H23N3/c1-16(2)13(12-7-5-9-15-12)10-11-6-3-4-8-14-11/h5,7,9,11,13-15H,3-4,6,8,10H2,1-2H3
InChIKeyNRMXFEMRHGCXIE-UHFFFAOYSA-N
XLogP2.15
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906803
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
CID 116906661
2-[methyl(piperidin-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 71641896
N,N-dimethyl-2-pyrrolidin-2-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116906674
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
1-cyclobutyl-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906819
2-(piperidin-2-ylmethylamino)-1-(1H-pyrrol-2-yl)ethanone
CID 71645064
2-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)-1H-pyrrole
CID 130992693
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627337
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine (CID 116906796) is N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine is CN(C)C(CC1CCCCN1)c1ccc[nH]1.
What is the InChIKey of N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine?
The InChIKey is NRMXFEMRHGCXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-16(2)13(12-7-5-9-15-12)10-11-6-3-4-8-14-11/h5,7,9,11,13-15H,3-4,6,8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine?
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 116906796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).