1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine

C12H20N2 — CID 178009376

IUPAC1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine
SMILESCC1=CCCC=C1CN1CCNCC1
InChIInChI=1S/C12H20N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h4-5,13H,2-3,6-10H2,1H3
InChIKeySGKHACSFWHVZQH-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.56
Rot. Bonds2

About 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine

1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine (PubChem CID 178009376) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine
PubChem CID178009376
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine
SMILESCC1=CCCC=C1CN1CCNCC1
InChIInChI=1S/C12H20N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h4-5,13H,2-3,6-10H2,1H3
InChIKeySGKHACSFWHVZQH-UHFFFAOYSA-N
XLogP1.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
CID 71137798
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine?
The IUPAC name of 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine (CID 178009376) is 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine is CC1=CCCC=C1CN1CCNCC1.
What is the InChIKey of 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine?
The InChIKey is SGKHACSFWHVZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h4-5,13H,2-3,6-10H2,1H3.
What are the key properties of 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine?
1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine has a molecular weight of 192.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine is sourced from PubChem (CID 178009376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).