1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine

C14H25N3 — CID 170864210

IUPAC1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
SMILESCc1cc(C)c(CCCN2CCN(C)CC2)[nH]1
InChIInChI=1S/C14H25N3/c1-12-11-13(2)15-14(12)5-4-6-17-9-7-16(3)8-10-17/h11,15H,4-10H2,1-3H3
InChIKeyIIRNRURMPDKDIM-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine

1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine (PubChem CID 170864210) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
PubChem CID170864210
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
SMILESCc1cc(C)c(CCCN2CCN(C)CC2)[nH]1
InChIInChI=1S/C14H25N3/c1-12-11-13(2)15-14(12)5-4-6-17-9-7-16(3)8-10-17/h11,15H,4-10H2,1-3H3
InChIKeyIIRNRURMPDKDIM-UHFFFAOYSA-N
XLogP1.81
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4,5-dibromo-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864182
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
CID 170864121
1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
CID 170862633
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine
CID 170862597
1-methyl-4-[3-(2,4,6-trinitrophenyl)propyl]piperazine
CID 170862685
1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine
CID 170863747
7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 170864276
2,4,6-tribromo-3-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862881
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine (CID 170864210) is 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine is Cc1cc(C)c(CCCN2CCN(C)CC2)[nH]1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
The InChIKey is IIRNRURMPDKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-11-13(2)15-14(12)5-4-6-17-9-7-16(3)8-10-17/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine?
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine has a molecular weight of 235.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170864210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).