1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine

C12H23N3 — CID 118967501

IUPAC1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine
SMILESCC1=C(CN2CCN(C)CC2)N(C)CC1
InChIInChI=1S/C12H23N3/c1-11-4-5-14(3)12(11)10-15-8-6-13(2)7-9-15/h4-10H2,1-3H3
InChIKeyZVXUZRGJFLMQQB-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.84
Rot. Bonds2

About 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine

1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine (PubChem CID 118967501) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine
PubChem CID118967501
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine
SMILESCC1=C(CN2CCN(C)CC2)N(C)CC1
InChIInChI=1S/C12H23N3/c1-11-4-5-14(3)12(11)10-15-8-6-13(2)7-9-15/h4-10H2,1-3H3
InChIKeyZVXUZRGJFLMQQB-UHFFFAOYSA-N
XLogP0.84
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,5,7-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine
CID 58759436
1,1,4,4,5,7-hexamethyl-3,6-dihydro-2H-cyclopenta[b]pyrazine-1,4-diium
CID 58759437
1,2-Dimethyl-4-propan-2-yl-3-propan-2-ylidenepiperazine
CID 59756820
1-Methyl-2-propan-2-ylidene-4-propylpiperazine
CID 89209694
1-(1-Cyclopropylidenepropyl)-4-methylpiperazine
CID 134594472
2,8-dimethyl-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145416754
7-methyl-2,8-di(propan-2-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 146255561
2-Cyclobutylidene-1-methyl-4-propylpiperazine
CID 152807495
4-methyl-2-methylidene-1-[(E)-2,4,5-trimethylhex-3-en-3-yl]piperazine
CID 166774764
2,6,8-trimethyl-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 168801134
4,7,8-Trimethyl-1,4-diazabicyclo[4.2.0]oct-6-ene
CID 168801142
1-(1-Cyclopropylideneethyl)-4-methylpiperazine
CID 143607477

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine (CID 118967501) is 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine is CC1=C(CN2CCN(C)CC2)N(C)CC1.
What is the InChIKey of 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine?
The InChIKey is ZVXUZRGJFLMQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11-4-5-14(3)12(11)10-15-8-6-13(2)7-9-15/h4-10H2,1-3H3.
What are the key properties of 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine?
1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine has a molecular weight of 209.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethyl-2,3-dihydropyrrol-5-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 118967501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).