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

C48H68N4O2 — CID 158483163

IUPAC1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
SMILESCN1CCN(CC(c2cccc3ccccc23)C2(O)CCCCCCC2)CC1.OC1(C(CN2CCNCC2)c2cccc3ccccc23)CCCCCC1
InChIInChI=1S/C25H36N2O.C23H32N2O/c1-26-16-18-27(19-17-26)20-24(25(28)14-7-3-2-4-8-15-25)23-13-9-11-21-10-5-6-12-22(21)23;26-23(12-5-1-2-6-13-23)22(18-25-16-14-24-15-17-25)21-11-7-9-19-8-3-4-10-20(19)21/h5-6,9-13,24,28H,2-4,7-8,14-20H2,1H3;3-4,7-11,22,24,26H,1-2,5-6,12-18H2
InChIKeyHHTSZTUUUSIZJE-UHFFFAOYSA-N
MW733.10 g/mol
LogP8.56
Rot. Bonds8

About 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

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 (PubChem CID 158483163) has the molecular formula C48H68N4O2 and a molecular weight of 733.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
PubChem CID158483163
Molecular FormulaC48H68N4O2
Molecular Weight733.10 g/mol
Exact Mass732.53
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
SMILESCN1CCN(CC(c2cccc3ccccc23)C2(O)CCCCCCC2)CC1.OC1(C(CN2CCNCC2)c2cccc3ccccc23)CCCCCC1
InChIInChI=1S/C25H36N2O.C23H32N2O/c1-26-16-18-27(19-17-26)20-24(25(28)14-7-3-2-4-8-15-25)23-13-9-11-21-10-5-6-12-22(21)23;26-23(12-5-1-2-6-13-23)22(18-25-16-14-24-15-17-25)21-11-7-9-19-8-3-4-10-20(19)21/h5-6,9-13,24,28H,2-4,7-8,14-20H2,1H3;3-4,7-11,22,24,26H,1-2,5-6,12-18H2
InChIKeyHHTSZTUUUSIZJE-UHFFFAOYSA-N
XLogP8.56
TPSA62.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.10
LogP ≤ 58.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol
CID 11153627
4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 11269823
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 72758154
1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride
CID 68854522
1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701292
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-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
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
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11232276

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(CC(c2cccc3ccccc23)C2(O)CCCCCCC2)CC1.OC1(C(CN2CCNCC2)c2cccc3ccccc23)CCCCCC1.
What is the InChIKey of 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?
The InChIKey is HHTSZTUUUSIZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O.C23H32N2O/c1-26-16-18-27(19-17-26)20-24(25(28)14-7-3-2-4-8-15-25)23-13-9-11-21-10-5-6-12-22(21)23;26-23(12-5-1-2-6-13-23)22(18-25-16-14-24-15-17-25)21-11-7-9-19-8-3-4-10-20(19)21/h5-6,9-13,24,28H,2-4,7-8,14-20H2,1H3;3-4,7-11,22,24,26H,1-2,5-6,12-18H2.
What are the key properties of 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?
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 has a molecular weight of 733.10 g/mol, XLogP of 8.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158483163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).