1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride

C20H28Cl2N2O — CID 68855773

IUPAC1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2cccc3ccccc23)CCC1
InChIInChI=1S/C20H26N2O.2ClH/c23-20(9-4-10-20)19(15-22-13-11-21-12-14-22)18-8-3-6-16-5-1-2-7-17(16)18;;/h1-3,5-8,19,21,23H,4,9-15H2;2*1H
InChIKeyWGAFSULIDVBLFK-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.59
Rot. Bonds4

About 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride

1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride (PubChem CID 68855773) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride.

Molecular Properties

Compound Name1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
PubChem CID68855773
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.OC1(C(CN2CCNCC2)c2cccc3ccccc23)CCC1
InChIInChI=1S/C20H26N2O.2ClH/c23-20(9-4-10-20)19(15-22-13-11-21-12-14-22)18-8-3-6-16-5-1-2-7-17(16)18;;/h1-3,5-8,19,21,23H,4,9-15H2;2*1H
InChIKeyWGAFSULIDVBLFK-UHFFFAOYSA-N
XLogP3.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol
CID 11153627
1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855319
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 72758154
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11475998
4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 11269823
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11232276

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride?
The IUPAC name of 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride (CID 68855773) is 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride.
What is the SMILES notation for 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride?
The canonical SMILES for 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride is Cl.Cl.OC1(C(CN2CCNCC2)c2cccc3ccccc23)CCC1.
What is the InChIKey of 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride?
The InChIKey is WGAFSULIDVBLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.2ClH/c23-20(9-4-10-20)19(15-22-13-11-21-12-14-22)18-8-3-6-16-5-1-2-7-17(16)18;;/h1-3,5-8,19,21,23H,4,9-15H2;2*1H.
What are the key properties of 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride?
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride is sourced from PubChem (CID 68855773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).