1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride

C13H22Cl2N2 — CID 171295514

IUPAC1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
SMILESCC[C@H](c1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-2-13(12-6-4-3-5-7-12)15-10-8-14-9-11-15;;/h3-7,13-14H,2,8-11H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyJWIVDOWXNVNNKS-FFXKMJQXSA-N
MW277.24 g/mol
LogP2.89
Rot. Bonds3

About 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride

1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride (PubChem CID 171295514) has the molecular formula C13H22Cl2N2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
PubChem CID171295514
Molecular FormulaC13H22Cl2N2
Molecular Weight277.24 g/mol
Exact Mass276.12
IUPAC Name1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
SMILESCC[C@H](c1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-2-13(12-6-4-3-5-7-12)15-10-8-14-9-11-15;;/h3-7,13-14H,2,8-11H2,1H3;2*1H/t13-;;/m1../s1
InChIKeyJWIVDOWXNVNNKS-FFXKMJQXSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
3-(1-piperazin-1-ylpropyl)phenol;dihydrochloride
CID 23080544
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
4-[(1S)-1-piperazin-1-ylpropyl]benzonitrile;dihydrochloride
CID 171272506
1-(2-chloro-1-phenylethyl)piperazine
CID 59260605
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride (CID 171295514) is 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride is CC[C@H](c1ccccc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride?
The InChIKey is JWIVDOWXNVNNKS-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H20N2.2ClH/c1-2-13(12-6-4-3-5-7-12)15-10-8-14-9-11-15;;/h3-7,13-14H,2,8-11H2,1H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride?
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).