(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride

C14H23ClN2 — CID 120839154

IUPAC(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride
SMILESCC(CN1CCNC[C@@H]1C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-12(14-6-4-3-5-7-14)11-16-9-8-15-10-13(16)2;/h3-7,12-13,15H,8-11H2,1-2H3;1H/t12?,13-;/m0./s1
InChIKeyGZBHJSTXZSCCEE-ZEDZUCNESA-N
MW254.81 g/mol
LogP2.51
Rot. Bonds3

About (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride

(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride (PubChem CID 120839154) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride
PubChem CID120839154
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride
SMILESCC(CN1CCNC[C@@H]1C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-12(14-6-4-3-5-7-14)11-16-9-8-15-10-13(16)2;/h3-7,12-13,15H,8-11H2,1-2H3;1H/t12?,13-;/m0./s1
InChIKeyGZBHJSTXZSCCEE-ZEDZUCNESA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-1-[(2R)-2-phenylpropyl]piperazine
CID 96906178
1-[2-(4-fluorophenyl)propyl]-2-methylpiperazine
CID 120837102
2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
CID 82755402
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120911731
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
2-methyl-1-(3-phenylprop-2-enyl)piperazine
CID 75598897
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
3-methyl-1-(2-phenylpropyl)piperazine
CID 65416584
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride?
The IUPAC name of (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride (CID 120839154) is (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride?
The canonical SMILES for (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride is CC(CN1CCNC[C@@H]1C)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride?
The InChIKey is GZBHJSTXZSCCEE-ZEDZUCNESA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-12(14-6-4-3-5-7-14)11-16-9-8-15-10-13(16)2;/h3-7,12-13,15H,8-11H2,1-2H3;1H/t12?,13-;/m0./s1.
What are the key properties of (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride?
(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride has a molecular weight of 254.81 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride is sourced from PubChem (CID 120839154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).