1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine

C17H29N3 — CID 172768948

IUPAC1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine
SMILESCC1=C(N2CCC(N3CCN(C)CC3)CC2)CCC=C1
InChIInChI=1S/C17H29N3/c1-15-5-3-4-6-17(15)20-9-7-16(8-10-20)19-13-11-18(2)12-14-19/h3,5,16H,4,6-14H2,1-2H3
InChIKeyMRPHDDQEUVCGPI-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds2

About 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine

1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine (PubChem CID 172768948) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine
PubChem CID172768948
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine
SMILESCC1=C(N2CCC(N3CCN(C)CC3)CC2)CCC=C1
InChIInChI=1S/C17H29N3/c1-15-5-3-4-6-17(15)20-9-7-16(8-10-20)19-13-11-18(2)12-14-19/h3,5,16H,4,6-14H2,1-2H3
InChIKeyMRPHDDQEUVCGPI-UHFFFAOYSA-N
XLogP2.32
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine 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-[1-(6-Fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
CID 173009685
Cyclopentadienyl dabco
CID 129651753
1-[1-[(3Z,5E)-5,7-difluoro-2-methylocta-3,5,7-trienyl]piperidin-4-yl]-4-[(3Z,5E)-3-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]piperazine
CID 143279917
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 59371110
1,2-Dimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 68344064
1-(4-Butylcyclohexa-1,3-dien-1-yl)-4-[1-(1-cyclohexa-1,5-dien-1-ylethyl)piperidin-4-yl]piperazine
CID 70875860
N-cyclohexa-1,5-dien-1-yl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]cyclohexa-1,5-dien-1-amine
CID 91298077
2-(Cyclohexa-1,5-dien-1-ylmethyl)-1,4-dimethylpiperazine
CID 129144051
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 134340884
6-[(6-Methylidene-1-propyl-3-pyridinyl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 134506693
(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine
CID 135269560
1-[4-[(4E)-4-[(2Z)-2-ethenylpenta-2,4-dienylidene]cyclohexa-1,5-dien-1-yl]but-1-en-2-yl]-4-methylpiperazine
CID 137382270

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine (CID 172768948) is 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine is CC1=C(N2CCC(N3CCN(C)CC3)CC2)CCC=C1.
What is the InChIKey of 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine?
The InChIKey is MRPHDDQEUVCGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15-5-3-4-6-17(15)20-9-7-16(8-10-20)19-13-11-18(2)12-14-19/h3,5,16H,4,6-14H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine?
1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine is sourced from PubChem (CID 172768948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).