1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine

C28H40N2 — CID 58767695

IUPAC1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine
SMILESCCCCN1CCN(c2ccc3ccccc3c2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H40N2/c1-5-6-17-29-18-20-30(21-19-29)26-16-13-22-9-7-8-10-25(22)27(26)23-11-14-24(15-12-23)28(2,3)4/h7-11,13,16,24H,5-6,12,14-15,17-21H2,1-4H3
InChIKeyKOAWGDBNRVHUKM-UHFFFAOYSA-N
MW404.64 g/mol
LogP6.99
Rot. Bonds5

About 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine

1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine (PubChem CID 58767695) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine
PubChem CID58767695
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine
SMILESCCCCN1CCN(c2ccc3ccccc3c2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H40N2/c1-5-6-17-29-18-20-30(21-19-29)26-16-13-22-9-7-8-10-25(22)27(26)23-11-14-24(15-12-23)28(2,3)4/h7-11,13,16,24H,5-6,12,14-15,17-21H2,1-4H3
InChIKeyKOAWGDBNRVHUKM-UHFFFAOYSA-N
XLogP6.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Naphthyl)piperazine
CID 1342
1-(Naphthalen-2-yl)piperazine
CID 2760172
1-(1-Naphthyl)piperazine hydrochloride
CID 2737391
1-Methyl-4-naphthalen-2-ylpiperazine
CID 3044599
N,N-Diethyl-alpha-naphthylamine
CID 66547
Benzenamine, 4,4',4''-methylidynetris[N,N-diethyl-3-methyl-
CID 78234
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763
Benzyl-(3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl)-amine
CID 10473705
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-(4-methylphenyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 44381336
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]-4-cyclohexylpiperazine
CID 70696149
1-(2,4-dimethylphenyl)-4-{[(1S,2S)-2-phenylcyclopropyl]methyl}piperazine
CID 9797161
1-(2,4-dimethylphenyl)-4-(((1R,2S)-2-phenylcyclopropyl)methyl)piperazine
CID 9901646

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine?
The IUPAC name of 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine (CID 58767695) is 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine.
What is the SMILES notation for 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine?
The canonical SMILES for 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine is CCCCN1CCN(c2ccc3ccccc3c2C2=CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine?
The InChIKey is KOAWGDBNRVHUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2/c1-5-6-17-29-18-20-30(21-19-29)26-16-13-22-9-7-8-10-25(22)27(26)23-11-14-24(15-12-23)28(2,3)4/h7-11,13,16,24H,5-6,12,14-15,17-21H2,1-4H3.
What are the key properties of 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine?
1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine has a molecular weight of 404.64 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine is sourced from PubChem (CID 58767695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).