4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride

C16H21ClN2O2 — CID 171183518

IUPAC4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(O)c2ccccc12)N1CCNCC1
InChIInChI=1S/C16H20N2O2.ClH/c19-11-15(18-9-7-17-8-10-18)13-5-6-16(20)14-4-2-1-3-12(13)14;/h1-6,15,17,19-20H,7-11H2;1H/t15-;/m0./s1
InChIKeyFABKOICCLGFRIN-RSAXXLAASA-N
MW308.81 g/mol
LogP1.91
Rot. Bonds3

About 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride

4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride (PubChem CID 171183518) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
PubChem CID171183518
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(O)c2ccccc12)N1CCNCC1
InChIInChI=1S/C16H20N2O2.ClH/c19-11-15(18-9-7-17-8-10-18)13-5-6-16(20)14-4-2-1-3-12(13)14;/h1-6,15,17,19-20H,7-11H2;1H/t15-;/m0./s1
InChIKeyFABKOICCLGFRIN-RSAXXLAASA-N
XLogP1.91
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171171355
4-[(1R)-1-piperazin-1-ylbut-3-enyl]naphthalen-1-ol;dihydrochloride
CID 171292390
4-[(1R)-1-piperazin-1-ylpentyl]naphthalen-1-ol;dihydrochloride
CID 171308012
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
4-[(1R)-1-piperazin-1-ylethyl]naphthalen-1-ol
CID 171292379
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]naphthalen-1-ol;hydrochloride
CID 171180287
4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol
CID 171190699
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
CID 171292394
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride?
The IUPAC name of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride (CID 171183518) is 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride.
What is the SMILES notation for 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride?
The canonical SMILES for 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride is Cl.OC[C@@H](c1ccc(O)c2ccccc12)N1CCNCC1.
What is the InChIKey of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride?
The InChIKey is FABKOICCLGFRIN-RSAXXLAASA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c19-11-15(18-9-7-17-8-10-18)13-5-6-16(20)14-4-2-1-3-12(13)14;/h1-6,15,17,19-20H,7-11H2;1H/t15-;/m0./s1.
What are the key properties of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride?
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride is sourced from PubChem (CID 171183518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).