(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine

C16H26N2 — CID 135269560

IUPAC(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine
SMILESC=C1C=CC=C(CN2[C@H](C)CN(CC)C[C@@H]2C)C1
InChIInChI=1S/C16H26N2/c1-5-17-10-14(3)18(15(4)11-17)12-16-8-6-7-13(2)9-16/h6-8,14-15H,2,5,9-12H2,1,3-4H3/t14-,15+
InChIKeyONFVSBWWNOPJLB-GASCZTMLSA-N
MW246.40 g/mol
LogP2.84
Rot. Bonds3

About (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine

(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine (PubChem CID 135269560) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine
PubChem CID135269560
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine
SMILESC=C1C=CC=C(CN2[C@H](C)CN(CC)C[C@@H]2C)C1
InChIInChI=1S/C16H26N2/c1-5-17-10-14(3)18(15(4)11-17)12-16-8-6-7-13(2)9-16/h6-8,14-15H,2,5,9-12H2,1,3-4H3/t14-,15+
InChIKeyONFVSBWWNOPJLB-GASCZTMLSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]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-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-methyl-4-[(2Z,4E)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-(trifluoromethyl)hepta-2,4,6-trienyl]piperazine
CID 126748900
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
2-(Cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,9,9a-hexahydropyrido[1,2-a]pyrazine
CID 142443820
2-(Cyclohexa-1,3-dien-1-ylmethyl)-8-fluoro-1,3,4,6,7,9a-hexahydropyrido[1,2-a]pyrazine
CID 142444551
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
CID 143150984
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-N,1-dimethylpiperidin-4-amine
CID 144962869
1-[[4-(2-Methylprop-2-enyl)-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-4-propan-2-ylpiperazine
CID 163858393
1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 167025868
Cyclopentadienyl dabco
CID 129651753
(5Z,7Z)-N,N-diethyl-5-(fluoromethyl)-4-(4-methylpiperazin-1-yl)nona-5,7-dien-1-amine
CID 142157086

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine?
The IUPAC name of (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine (CID 135269560) is (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine.
What is the SMILES notation for (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine?
The canonical SMILES for (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine is C=C1C=CC=C(CN2[C@H](C)CN(CC)C[C@@H]2C)C1.
What is the InChIKey of (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine?
The InChIKey is ONFVSBWWNOPJLB-GASCZTMLSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-17-10-14(3)18(15(4)11-17)12-16-8-6-7-13(2)9-16/h6-8,14-15H,2,5,9-12H2,1,3-4H3/t14-,15+.
What are the key properties of (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine?
(2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-ethyl-2,6-dimethyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperazine is sourced from PubChem (CID 135269560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).