(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride

C18H23ClN2O2 — CID 171194691

IUPAC(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCOc1cc([C@@H]2CNCCN2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-21-18-11-15(16-12-19-9-10-20-16)7-8-17(18)22-13-14-5-3-2-4-6-14;/h2-8,11,16,19-20H,9-10,12-13H2,1H3;1H/t16-;/m0./s1
InChIKeyRBRKRXNUIFSYTL-NTISSMGPSA-N
MW334.85 g/mol
LogP2.93
Rot. Bonds5

About (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride

(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride (PubChem CID 171194691) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
PubChem CID171194691
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCOc1cc([C@@H]2CNCCN2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-21-18-11-15(16-12-19-9-10-20-16)7-8-17(18)22-13-14-5-3-2-4-6-14;/h2-8,11,16,19-20H,9-10,12-13H2,1H3;1H/t16-;/m0./s1
InChIKeyRBRKRXNUIFSYTL-NTISSMGPSA-N
XLogP2.93
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193382
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171194561
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193308
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092
(2S)-2-[4-(methoxymethyl)phenyl]piperazine
CID 67928117
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine
CID 53405948
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride (CID 171194691) is (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride is COc1cc([C@@H]2CNCCN2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The InChIKey is RBRKRXNUIFSYTL-NTISSMGPSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-21-18-11-15(16-12-19-9-10-20-16)7-8-17(18)22-13-14-5-3-2-4-6-14;/h2-8,11,16,19-20H,9-10,12-13H2,1H3;1H/t16-;/m0./s1.
What are the key properties of (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride?
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).