N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine

C13H24N4 — CID 116957135

IUPACN-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
SMILESCNC(CCCN1CCNCC1)c1cc[nH]c1
InChIInChI=1S/C13H24N4/c1-14-13(12-4-5-16-11-12)3-2-8-17-9-6-15-7-10-17/h4-5,11,13-16H,2-3,6-10H2,1H3
InChIKeyOBAKTCNZMFSNEH-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.96
Rot. Bonds6

About N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine

N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine (PubChem CID 116957135) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
PubChem CID116957135
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
SMILESCNC(CCCN1CCNCC1)c1cc[nH]c1
InChIInChI=1S/C13H24N4/c1-14-13(12-4-5-16-11-12)3-2-8-17-9-6-15-7-10-17/h4-5,11,13-16H,2-3,6-10H2,1H3
InChIKeyOBAKTCNZMFSNEH-UHFFFAOYSA-N
XLogP0.96
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116960921
N,N'-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116949458
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
4-(methylamino)-4-(1H-pyrrol-3-yl)butanenitrile
CID 116955311
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
CID 116954947
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115230643
1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954962
1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
CID 82283605

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
The IUPAC name of N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine (CID 116957135) is N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine is CNC(CCCN1CCNCC1)c1cc[nH]c1.
What is the InChIKey of N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
The InChIKey is OBAKTCNZMFSNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-14-13(12-4-5-16-11-12)3-2-8-17-9-6-15-7-10-17/h4-5,11,13-16H,2-3,6-10H2,1H3.
What are the key properties of N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine?
N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine is sourced from PubChem (CID 116957135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).