(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride

C21H31ClN2O2 — CID 171190278

IUPAC(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N1CCNCC1)C(C)(C)CO.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-4-25-18-10-9-16-7-5-6-8-17(16)19(18)20(21(2,3)15-24)23-13-11-22-12-14-23;/h5-10,20,22,24H,4,11-15H2,1-3H3;1H/t20-;/m0./s1
InChIKeyJJOFHSQMHZCQJV-BDQAORGHSA-N
MW378.94 g/mol
LogP3.63
Rot. Bonds6

About (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171190278) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171190278
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N1CCNCC1)C(C)(C)CO.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-4-25-18-10-9-16-7-5-6-8-17(16)19(18)20(21(2,3)15-24)23-13-11-22-12-14-23;/h5-10,20,22,24H,4,11-15H2,1-3H3;1H/t20-;/m0./s1
InChIKeyJJOFHSQMHZCQJV-BDQAORGHSA-N
XLogP3.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride with MolForge

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Related Compounds

(3R)-3-(2-methoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190221
(3S)-3-anthracen-9-yl-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189797
(3R)-3-anthracen-9-yl-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190386
(3R)-3-(2-ethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189996
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)hexyl]piperazine;dihydrochloride
CID 171309582
1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171295033
1-[(S)-(2-ethoxynaphthalen-1-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171282409
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
CID 171282418
(3S)-3-(2,6-difluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179281
4-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-1-ol
CID 171190699

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171190278) is (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride is CCOc1ccc2ccccc2c1[C@H](N1CCNCC1)C(C)(C)CO.Cl.
What is the InChIKey of (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is JJOFHSQMHZCQJV-BDQAORGHSA-N. The full InChI is InChI=1S/C21H30N2O2.ClH/c1-4-25-18-10-9-16-7-5-6-8-17(16)19(18)20(21(2,3)15-24)23-13-11-22-12-14-23;/h5-10,20,22,24H,4,11-15H2,1-3H3;1H/t20-;/m0./s1.
What are the key properties of (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 378.94 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171190278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).