(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride

C17H21ClN2O — CID 171193942

IUPAC(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCl.c1ccc(COc2cccc([C@H]3CNCCN3)c2)cc1
InChIInChI=1S/C17H20N2O.ClH/c1-2-5-14(6-3-1)13-20-16-8-4-7-15(11-16)17-12-18-9-10-19-17;/h1-8,11,17-19H,9-10,12-13H2;1H/t17-;/m1./s1
InChIKeyAXPUIXBYFQKPTA-UNTBIKODSA-N
MW304.82 g/mol
LogP2.92
Rot. Bonds4

About (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride

(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride (PubChem CID 171193942) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
PubChem CID171193942
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCl.c1ccc(COc2cccc([C@H]3CNCCN3)c2)cc1
InChIInChI=1S/C17H20N2O.ClH/c1-2-5-14(6-3-1)13-20-16-8-4-7-15(11-16)17-12-18-9-10-19-17;/h1-8,11,17-19H,9-10,12-13H2;1H/t17-;/m1./s1
InChIKeyAXPUIXBYFQKPTA-UNTBIKODSA-N
XLogP2.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193334
(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride
CID 171194229
(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 93068855
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
[3-[(2S)-piperazin-2-yl]phenyl] acetate
CID 171193886
2-(4-phenoxyphenyl)piperazine
CID 82298874
(2S)-2-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane
CID 15386758
3-piperazin-2-ylaniline
CID 45099675
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride?
The IUPAC name of (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride (CID 171193942) is (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride is Cl.c1ccc(COc2cccc([C@H]3CNCCN3)c2)cc1.
What is the InChIKey of (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride?
The InChIKey is AXPUIXBYFQKPTA-UNTBIKODSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c1-2-5-14(6-3-1)13-20-16-8-4-7-15(11-16)17-12-18-9-10-19-17;/h1-8,11,17-19H,9-10,12-13H2;1H/t17-;/m1./s1.
What are the key properties of (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride?
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 171193942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).