4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol

C27H40N2O — CID 11269823

IUPAC4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
SMILESCN1CCN(CC(c2cccc3ccccc23)C2(O)CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C27H40N2O/c1-26(2,3)22-12-14-27(30,15-13-22)25(20-29-18-16-28(4)17-19-29)24-11-7-9-21-8-5-6-10-23(21)24/h5-11,22,25,30H,12-20H2,1-4H3
InChIKeyIUMMUJFGGVLQAX-UHFFFAOYSA-N
MW408.63 g/mol
LogP5.14
Rot. Bonds4

About 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol

4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol (PubChem CID 11269823) has the molecular formula C27H40N2O and a molecular weight of 408.63 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
PubChem CID11269823
Molecular FormulaC27H40N2O
Molecular Weight408.63 g/mol
Exact Mass408.31
IUPAC Name4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
SMILESCN1CCN(CC(c2cccc3ccccc23)C2(O)CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C27H40N2O/c1-26(2,3)22-12-14-27(30,15-13-22)25(20-29-18-16-28(4)17-19-29)24-11-7-9-21-8-5-6-10-23(21)24/h5-11,22,25,30H,12-20H2,1-4H3
InChIKeyIUMMUJFGGVLQAX-UHFFFAOYSA-N
XLogP5.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol
CID 11153627
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-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 72758154
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 143036918
4-methylbenzene-1,3-dicarboxylic acid;1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 174503143
1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701292
(3R)-1-[1-[3-(1,1-difluoroethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3-methylcyclopentan-1-ol
CID 143037709
1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-ethylcyclohexan-1-ol;dihydrochloride
CID 68853180
(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid
CID 129386565
1-[2-[[(2R)-2-(dimethylamino)propyl]-methylamino]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 143037071

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol (CID 11269823) is 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol is CN1CCN(CC(c2cccc3ccccc23)C2(O)CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
The InChIKey is IUMMUJFGGVLQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O/c1-26(2,3)22-12-14-27(30,15-13-22)25(20-29-18-16-28(4)17-19-29)24-11-7-9-21-8-5-6-10-23(21)24/h5-11,22,25,30H,12-20H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol?
4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol has a molecular weight of 408.63 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 11269823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).