3-methyl-1-(1-phenylethyl)piperazine;hydrochloride

C13H21ClN2 — CID 119924296

IUPAC3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
SMILESCC1CN(C(C)c2ccccc2)CCN1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-11-10-15(9-8-14-11)12(2)13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10H2,1-2H3;1H
InChIKeyCPPHSMAKQQZYHA-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.46
Rot. Bonds2

About 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride

3-methyl-1-(1-phenylethyl)piperazine;hydrochloride (PubChem CID 119924296) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
PubChem CID119924296
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
SMILESCC1CN(C(C)c2ccccc2)CCN1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-11-10-15(9-8-14-11)12(2)13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10H2,1-2H3;1H
InChIKeyCPPHSMAKQQZYHA-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
CID 119924252
3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
CID 81471476
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol
CID 158643364
(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
CID 68931032
3-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanenitrile
CID 104976929
3-(3-methylpiperazin-1-yl)-3-phenylpropanenitrile
CID 65449769
1-[1-(3-bromo-4-fluorophenyl)ethyl]-3-methylpiperazine
CID 65416576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride?
The IUPAC name of 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride (CID 119924296) is 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride is CC1CN(C(C)c2ccccc2)CCN1.Cl.
What is the InChIKey of 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride?
The InChIKey is CPPHSMAKQQZYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-11-10-15(9-8-14-11)12(2)13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10H2,1-2H3;1H.
What are the key properties of 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride?
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenylethyl)piperazine;hydrochloride is sourced from PubChem (CID 119924296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).