2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine

C17H28N2 — CID 70281343

IUPAC2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C17H28N2/c1-19-13-12-18-14-16(19)17(10-6-3-7-11-17)15-8-4-2-5-9-15/h3,6-7,10,15-16,18H,2,4-5,8-9,11-14H2,1H3
InChIKeyZOIPEHHDPVFMQW-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.97
Rot. Bonds2

About 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine

2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine (PubChem CID 70281343) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine
PubChem CID70281343
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C17H28N2/c1-19-13-12-18-14-16(19)17(10-6-3-7-11-17)15-8-4-2-5-9-15/h3,6-7,10,15-16,18H,2,4-5,8-9,11-14H2,1H3
InChIKeyZOIPEHHDPVFMQW-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine?
The IUPAC name of 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine (CID 70281343) is 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine.
What is the SMILES notation for 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine?
The canonical SMILES for 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine is CN1CCNCC1C1(C2CCCCC2)C=CC=CC1.
What is the InChIKey of 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine?
The InChIKey is ZOIPEHHDPVFMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-19-13-12-18-14-16(19)17(10-6-3-7-11-17)15-8-4-2-5-9-15/h3,6-7,10,15-16,18H,2,4-5,8-9,11-14H2,1H3.
What are the key properties of 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine?
2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine has a molecular weight of 260.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylcyclohexa-2,4-dien-1-yl)-1-methylpiperazine is sourced from PubChem (CID 70281343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).