N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine

C14H26N4 — CID 115255504

IUPACN-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCC(CCN(C)Cc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C14H26N4/c1-13(18-10-7-15-8-11-18)5-9-17(2)12-14-4-3-6-16-14/h3-4,6,13,15-16H,5,7-12H2,1-2H3
InChIKeyIRKOQRKCMFCJGH-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.13
Rot. Bonds6

About N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine

N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (PubChem CID 115255504) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
PubChem CID115255504
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCC(CCN(C)Cc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C14H26N4/c1-13(18-10-7-15-8-11-18)5-9-17(2)12-14-4-3-6-16-14/h3-4,6,13,15-16H,5,7-12H2,1-2H3
InChIKeyIRKOQRKCMFCJGH-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 115239646
3-(2-piperazin-1-ylpropyl)-1H-pyridin-2-one
CID 83890200
N-methyl-N-(3-piperazin-1-ylbutyl)pyridin-3-amine
CID 115255466
4-[methyl(1H-pyrrol-2-ylmethyl)amino]butanenitrile
CID 115231821
N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 115238718
N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255475
1-[1-(1H-pyrrol-2-yl)ethyl]piperazine;hydrochloride
CID 71637758
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
1-[4-(2-chlorophenyl)butan-2-yl]piperazine
CID 82044743
N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 115255740

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The IUPAC name of N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (CID 115255504) is N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is CC(CCN(C)Cc1ccc[nH]1)N1CCNCC1.
What is the InChIKey of N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The InChIKey is IRKOQRKCMFCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13(18-10-7-15-8-11-18)5-9-17(2)12-14-4-3-6-16-14/h3-4,6,13,15-16H,5,7-12H2,1-2H3.
What are the key properties of N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 115255504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).