(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride

C17H23ClN2O — CID 171183095

IUPAC(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCc1ccc([C@@H](CO)N2CCNCC2)c2ccccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-20)19-10-8-18-9-11-19;/h2-7,17-18,20H,8-12H2,1H3;1H/t17-;/m1./s1
InChIKeyQSGNUGIUNVKJIV-UNTBIKODSA-N
MW306.84 g/mol
LogP2.51
Rot. Bonds3

About (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride

(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183095) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183095
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCc1ccc([C@@H](CO)N2CCNCC2)c2ccccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-20)19-10-8-18-9-11-19;/h2-7,17-18,20H,8-12H2,1H3;1H/t17-;/m1./s1
InChIKeyQSGNUGIUNVKJIV-UNTBIKODSA-N
XLogP2.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183677
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]naphthalen-1-ol;dihydrochloride
CID 171279766
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
CID 171180294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183095) is (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride is Cc1ccc([C@@H](CO)N2CCNCC2)c2ccccc12.Cl.
What is the InChIKey of (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is QSGNUGIUNVKJIV-UNTBIKODSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-20)19-10-8-18-9-11-19;/h2-7,17-18,20H,8-12H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride?
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).