1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine

C19H30N2 — CID 79870057

IUPAC1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1C1CCCCC1(C)C
InChIInChI=1S/C19H30N2/c1-15-13-20-17(16-9-5-4-6-10-16)14-21(15)18-11-7-8-12-19(18,2)3/h4-6,9-10,15,17-18,20H,7-8,11-14H2,1-3H3
InChIKeyWWMPOKXYUQNWHM-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.99
Rot. Bonds2

About 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine

1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine (PubChem CID 79870057) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
PubChem CID79870057
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1C1CCCCC1(C)C
InChIInChI=1S/C19H30N2/c1-15-13-20-17(16-9-5-4-6-10-16)14-21(15)18-11-7-8-12-19(18,2)3/h4-6,9-10,15,17-18,20H,7-8,11-14H2,1-3H3
InChIKeyWWMPOKXYUQNWHM-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914
1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 64942217
1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 64947768
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine
CID 79871083
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 79878573
(2S)-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 130678144
1-cyclopentyl-2-(2-methylpropyl)-5-phenylpiperazine
CID 82923611
ethane;(2S)-2-phenylaziridine
CID 145185749
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine (CID 79870057) is 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The InChIKey is WWMPOKXYUQNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-13-20-17(16-9-5-4-6-10-16)14-21(15)18-11-7-8-12-19(18,2)3/h4-6,9-10,15,17-18,20H,7-8,11-14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 79870057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).