N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine

C14H26N4 — CID 115255786

IUPACN-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
SMILESCC(CN(C)CCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C14H26N4/c1-13(18-9-6-15-7-10-18)12-17(2)8-4-14-3-5-16-11-14/h3,5,11,13,15-16H,4,6-10,12H2,1-2H3
InChIKeyHNOUADGZERXXKA-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.78
Rot. Bonds6

About N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine

N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine (PubChem CID 115255786) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
PubChem CID115255786
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
SMILESCC(CN(C)CCc1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C14H26N4/c1-13(18-9-6-15-7-10-18)12-17(2)8-4-14-3-5-16-11-14/h3,5,11,13,15-16H,4,6-10,12H2,1-2H3
InChIKeyHNOUADGZERXXKA-UHFFFAOYSA-N
XLogP0.78
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]butan-1-amine
CID 115255519
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305
N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
N-(2-piperazin-1-ylpropyl)-1H-pyrrol-3-amine
CID 115255619
N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 115255740
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
CID 115255725
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255751
N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide
CID 115171585

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine (CID 115255786) is N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine is CC(CN(C)CCc1cc[nH]c1)N1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine?
The InChIKey is HNOUADGZERXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(18-9-6-15-7-10-18)12-17(2)8-4-14-3-5-16-11-14/h3,5,11,13,15-16H,4,6-10,12H2,1-2H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine?
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115255786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).