N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

C12H22N4 — CID 115238718

IUPACN-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCN1CCNC(CN(C)Cc2ccc[nH]2)C1
InChIInChI=1S/C12H22N4/c1-15-7-6-14-12(9-15)10-16(2)8-11-4-3-5-13-11/h3-5,12-14H,6-10H2,1-2H3
InChIKeyKUDDOKAXJLDYDG-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.35
Rot. Bonds4

About N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine

N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (PubChem CID 115238718) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
PubChem CID115238718
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
SMILESCN1CCNC(CN(C)Cc2ccc[nH]2)C1
InChIInChI=1S/C12H22N4/c1-15-7-6-14-12(9-15)10-16(2)8-11-4-3-5-13-11/h3-5,12-14H,6-10H2,1-2H3
InChIKeyKUDDOKAXJLDYDG-UHFFFAOYSA-N
XLogP0.35
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238709
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238727
N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238706
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115238608
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine
CID 115238636
N-methyl-2-(1-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 115239646
2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238803
1-methyl-3-[[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 116881223
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
3,4-difluoro-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238616
N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 115255504
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine (CID 115238718) is N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine is CN1CCNC(CN(C)Cc2ccc[nH]2)C1.
What is the InChIKey of N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
The InChIKey is KUDDOKAXJLDYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-7-6-14-12(9-15)10-16(2)8-11-4-3-5-13-11/h3-5,12-14H,6-10H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine?
N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine is sourced from PubChem (CID 115238718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).