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

C16H22Cl2N2O — CID 171294389

IUPAC1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
SMILESC[C@H](c1c(O)ccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H20N2O.2ClH/c1-12(18-10-8-17-9-11-18)16-14-5-3-2-4-13(14)6-7-15(16)19;;/h2-7,12,17,19H,8-11H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyFIKNNIZJHCVGSE-CURYUGHLSA-N
MW329.27 g/mol
LogP3.36
Rot. Bonds2

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

1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride (PubChem CID 171294389) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
PubChem CID171294389
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
SMILESC[C@H](c1c(O)ccc2ccccc12)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H20N2O.2ClH/c1-12(18-10-8-17-9-11-18)16-14-5-3-2-4-13(14)6-7-15(16)19;;/h2-7,12,17,19H,8-11H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyFIKNNIZJHCVGSE-CURYUGHLSA-N
XLogP3.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.36
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-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
CID 171281801
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
1-[(1S)-1-piperazin-1-ylpentyl]naphthalen-2-ol
CID 171309511
1-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride
CID 171294417
(3R)-3-(2-hydroxynaphthalen-1-yl)-3-piperazin-1-ylpropanenitrile
CID 171307061
4-[(1R)-1-piperazin-1-ylethyl]naphthalen-1-ol
CID 171292379
1-[(1S)-1-anthracen-9-yl-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171272103
1-(2-methoxynaphthalen-1-yl)-2-piperazin-1-ylpropan-1-ol
CID 82263008
1-[(1S)-1-hydroxyethyl]naphthalen-2-ol
CID 95420538
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
CID 171181642

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The IUPAC name of 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride (CID 171294389) is 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride is C[C@H](c1c(O)ccc2ccccc12)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
The InChIKey is FIKNNIZJHCVGSE-CURYUGHLSA-N. The full InChI is InChI=1S/C16H20N2O.2ClH/c1-12(18-10-8-17-9-11-18)16-14-5-3-2-4-13(14)6-7-15(16)19;;/h2-7,12,17,19H,8-11H2,1H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride?
1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-piperazin-1-ylethyl]naphthalen-2-ol;dihydrochloride is sourced from PubChem (CID 171294389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).