1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine

C18H28N2 — CID 64930739

IUPAC1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine
SMILESCC1CC(C)CC(N2CCNCC2c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)12-17(11-14)20-9-8-19-13-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeySFALCGILVIBJTG-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.46
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine

1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine (PubChem CID 64930739) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine
PubChem CID64930739
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine
SMILESCC1CC(C)CC(N2CCNCC2c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)12-17(11-14)20-9-8-19-13-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeySFALCGILVIBJTG-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclohexyl)-2-phenylpiperazine
CID 64938818
1-cyclobutyl-2-phenylpiperazine
CID 64931514
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522
1-(2,3-dimethylcyclopentyl)-2-phenylpiperazine
CID 64931533
1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine
CID 64931531
(4S,9aR)-4-phenyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine;hydrochloride
CID 154919958
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
(2R)-N,N-dimethyl-2-phenylpiperazine-1-sulfonamide
CID 94994297
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
4-(2-phenylazetidin-1-yl)piperidine
CID 59511179
3-(2-phenylpyrrolidin-1-yl)azepane
CID 114218538
1-methylsulfonyl-2-phenyl-1,4-diazepane
CID 82245286

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine (CID 64930739) is 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine is CC1CC(C)CC(N2CCNCC2c2ccccc2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine?
The InChIKey is SFALCGILVIBJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-10-15(2)12-17(11-14)20-9-8-19-13-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine?
1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine is sourced from PubChem (CID 64930739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).