1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride

C19H26Cl2N2O — CID 171294417

IUPAC1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc2ccccc2c1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C19H24N2O.2ClH/c22-18-8-7-15-3-1-2-4-16(15)19(18)17(13-14-5-6-14)21-11-9-20-10-12-21;;/h1-4,7-8,14,17,20,22H,5-6,9-13H2;2*1H/t17-;;/m1../s1
InChIKeyUJEOKBZTVIYGFX-ZEECNFPPSA-N
MW369.34 g/mol
LogP4.14
Rot. Bonds4

About 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride

1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride (PubChem CID 171294417) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
PubChem CID171294417
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
SMILESCl.Cl.Oc1ccc2ccccc2c1[C@@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C19H24N2O.2ClH/c22-18-8-7-15-3-1-2-4-16(15)19(18)17(13-14-5-6-14)21-11-9-20-10-12-21;;/h1-4,7-8,14,17,20,22H,5-6,9-13H2;2*1H/t17-;;/m1../s1
InChIKeyUJEOKBZTVIYGFX-ZEECNFPPSA-N
XLogP4.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171295033
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294389
(3R)-3-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropanenitrile
CID 171307061
1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
CID 171309511
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1R)-2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]piperazine
CID 171284986
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3,5-triol
CID 171284684
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
CID 171281801
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
CID 171272960
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
CID 171288275

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride (CID 171294417) is 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride is Cl.Cl.Oc1ccc2ccccc2c1[C@@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The InChIKey is UJEOKBZTVIYGFX-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H24N2O.2ClH/c22-18-8-7-15-3-1-2-4-16(15)19(18)17(13-14-5-6-14)21-11-9-20-10-12-21;;/h1-4,7-8,14,17,20,22H,5-6,9-13H2;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride is sourced from PubChem (CID 171294417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).