2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane

C31H54N2 — CID 91111230

IUPAC2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane
SMILESCC.CC.CC.CC1CCC(C(C)N2CCN(c3ccc4ccccc4c3)C(C)C2C)CC1
InChIInChI=1S/C25H36N2.3C2H6/c1-18-9-11-22(12-10-18)21(4)26-15-16-27(20(3)19(26)2)25-14-13-23-7-5-6-8-24(23)17-25;3*1-2/h5-8,13-14,17-22H,9-12,15-16H2,1-4H3;3*1-2H3
InChIKeyGSRWSDFRAFYHOZ-UHFFFAOYSA-N
MW454.79 g/mol
LogP9.03
Rot. Bonds3

About 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane

2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane (PubChem CID 91111230) has the molecular formula C31H54N2 and a molecular weight of 454.79 g/mol. Its IUPAC name is 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane.

Molecular Properties

Compound Name2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane
PubChem CID91111230
Molecular FormulaC31H54N2
Molecular Weight454.79 g/mol
Exact Mass454.43
IUPAC Name2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane
SMILESCC.CC.CC.CC1CCC(C(C)N2CCN(c3ccc4ccccc4c3)C(C)C2C)CC1
InChIInChI=1S/C25H36N2.3C2H6/c1-18-9-11-22(12-10-18)21(4)26-15-16-27(20(3)19(26)2)25-14-13-23-7-5-6-8-24(23)17-25;3*1-2/h5-8,13-14,17-22H,9-12,15-16H2,1-4H3;3*1-2H3
InChIKeyGSRWSDFRAFYHOZ-UHFFFAOYSA-N
XLogP9.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.79
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,3-trimethyl-1-naphthalen-2-ylpiperidin-4-amine
CID 79406565
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
5,5-dimethyl-1-naphthalen-2-yl-2-propan-2-ylpiperazine
CID 64945583
3-methyl-1-naphthalen-2-ylpiperazine
CID 55104948
2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene
CID 146263241
1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole
CID 140841858
cyclopropyl(naphthalen-2-yl)methanol
CID 62791150
(3R,4S)-3-butyl-1-naphthalen-2-ylpiperidin-4-amine;hydrochloride
CID 68686524
2-(4-propan-2-ylcyclohexyl)oxynaphthalene
CID 141348691
(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one
CID 59159247
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane?
The IUPAC name of 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane (CID 91111230) is 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane.
What is the SMILES notation for 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane?
The canonical SMILES for 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane is CC.CC.CC.CC1CCC(C(C)N2CCN(c3ccc4ccccc4c3)C(C)C2C)CC1.
What is the InChIKey of 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane?
The InChIKey is GSRWSDFRAFYHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2.3C2H6/c1-18-9-11-22(12-10-18)21(4)26-15-16-27(20(3)19(26)2)25-14-13-23-7-5-6-8-24(23)17-25;3*1-2/h5-8,13-14,17-22H,9-12,15-16H2,1-4H3;3*1-2H3.
What are the key properties of 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane?
2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane has a molecular weight of 454.79 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[1-(4-methylcyclohexyl)ethyl]-4-naphthalen-2-ylpiperazine;ethane is sourced from PubChem (CID 91111230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).