1-[(1S)-1-phenylethyl]piperazine;dihydrochloride

C12H20Cl2N2 — CID 57383523

IUPAC1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14;;/h2-6,11,13H,7-10H2,1H3;2*1H/t11-;;/m0../s1
InChIKeyDBRRQHYZHBBNAS-IDMXKUIJSA-N
MW263.21 g/mol
LogP2.50
Rot. Bonds2

About 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride

1-[(1S)-1-phenylethyl]piperazine;dihydrochloride (PubChem CID 57383523) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
PubChem CID57383523
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC Name1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
SMILESC[C@@H](c1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14;;/h2-6,11,13H,7-10H2,1H3;2*1H/t11-;;/m0../s1
InChIKeyDBRRQHYZHBBNAS-IDMXKUIJSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
N-benzyl-4-[(1R)-1-piperazin-1-ylethyl]aniline
CID 171287688
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride (CID 57383523) is 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride is C[C@@H](c1ccccc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride?
The InChIKey is DBRRQHYZHBBNAS-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H18N2.2ClH/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14;;/h2-6,11,13H,7-10H2,1H3;2*1H/t11-;;/m0../s1.
What are the key properties of 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride?
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride has a molecular weight of 263.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 57383523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).