4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol

C26H38N2O — CID 11153627

IUPAC4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C(CN2CCNCC2)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H38N2O/c1-25(2,3)21-11-13-26(29,14-12-21)24(19-28-17-15-27-16-18-28)23-10-6-8-20-7-4-5-9-22(20)23/h4-10,21,24,27,29H,11-19H2,1-3H3
InChIKeyVHNDPYFDLPRWNW-UHFFFAOYSA-N
MW394.60 g/mol
LogP4.80
Rot. Bonds4

About 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol

4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol (PubChem CID 11153627) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol
PubChem CID11153627
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC Name4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C(CN2CCNCC2)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H38N2O/c1-25(2,3)21-11-13-26(29,14-12-21)24(19-28-17-15-27-16-18-28)23-10-6-8-20-7-4-5-9-22(20)23/h4-10,21,24,27,29H,11-19H2,1-3H3
InChIKeyVHNDPYFDLPRWNW-UHFFFAOYSA-N
XLogP4.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol 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

4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 11269823
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
CID 158483163
1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride
CID 68854522
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 72758154
4-methylbenzene-1,3-dicarboxylic acid;1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 174503143
1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855319
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11475998
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol (CID 11153627) is 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)(C(CN2CCNCC2)c2cccc3ccccc23)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol?
The InChIKey is VHNDPYFDLPRWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O/c1-25(2,3)21-11-13-26(29,14-12-21)24(19-28-17-15-27-16-18-28)23-10-6-8-20-7-4-5-9-22(20)23/h4-10,21,24,27,29H,11-19H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol?
4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol has a molecular weight of 394.60 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 11153627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).