1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine

C12H20N2 — CID 70264180

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C12H20N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h3,5-6H,2,4,7-11H2,1H3
InChIKeySNORSPBPXBRJDZ-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.51
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine (PubChem CID 70264180) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine
PubChem CID70264180
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C12H20N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h3,5-6H,2,4,7-11H2,1H3
InChIKeySNORSPBPXBRJDZ-UHFFFAOYSA-N
XLogP1.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperazine, 1-allyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446858
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
4-[(6-Fluorocyclohepta-1,4,6-trien-1-yl)methyl]-1,2-dimethylpiperazine
CID 142829516
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
CID 143150984
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine
CID 143401046

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine (CID 70264180) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine is CN1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine?
The InChIKey is SNORSPBPXBRJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h3,5-6H,2,4,7-11H2,1H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine has a molecular weight of 192.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine is sourced from PubChem (CID 70264180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).