N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine

C12H22N4 — CID 116960982

IUPACN-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
SMILESCNC(c1ccc[nH]1)C(C)N1CCNCC1
InChIInChI=1S/C12H22N4/c1-10(16-8-6-14-7-9-16)12(13-2)11-4-3-5-15-11/h3-5,10,12-15H,6-9H2,1-2H3
InChIKeyFWMYOQRDKNCLMA-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine

N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 116960982) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID116960982
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
SMILESCNC(c1ccc[nH]1)C(C)N1CCNCC1
InChIInChI=1S/C12H22N4/c1-10(16-8-6-14-7-9-16)12(13-2)11-4-3-5-15-11/h3-5,10,12-15H,6-9H2,1-2H3
InChIKeyFWMYOQRDKNCLMA-UHFFFAOYSA-N
XLogP0.57
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
CID 71637758
N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116960987
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960972
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116960994
1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 116948725
1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
CID 171287820
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976
1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
CID 171308857
1-[(R)-cyclobutyl(1H-pyrrol-2-yl)methyl]piperazine;dihydrochloride
CID 171287811
3-methyl-2-[methylamino(1H-pyrrol-2-yl)methyl]butanenitrile
CID 116960694

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine (CID 116960982) is N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine is CNC(c1ccc[nH]1)C(C)N1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is FWMYOQRDKNCLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(16-8-6-14-7-9-16)12(13-2)11-4-3-5-15-11/h3-5,10,12-15H,6-9H2,1-2H3.
What are the key properties of N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine?
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 116960982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).