1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride

C21H30Cl2N2O — CID 171295565

IUPAC1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccccc1OCc1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-2-8-20(23-15-13-22-14-16-23)19-11-6-7-12-21(19)24-17-18-9-4-3-5-10-18;;/h3-7,9-12,20,22H,2,8,13-17H2,1H3;2*1H/t20-;;/m1../s1
InChIKeyNGTGPDKXTFPVAP-FAVHNTAZSA-N
MW397.39 g/mol
LogP4.86
Rot. Bonds7

About 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride (PubChem CID 171295565) has the molecular formula C21H30Cl2N2O and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
PubChem CID171295565
Molecular FormulaC21H30Cl2N2O
Molecular Weight397.39 g/mol
Exact Mass396.17
IUPAC Name1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccccc1OCc1ccccc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C21H28N2O.2ClH/c1-2-8-20(23-15-13-22-14-16-23)19-11-6-7-12-21(19)24-17-18-9-4-3-5-10-18;;/h3-7,9-12,20,22H,2,8,13-17H2,1H3;2*1H/t20-;;/m1../s1
InChIKeyNGTGPDKXTFPVAP-FAVHNTAZSA-N
XLogP4.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-3,3,3-trifluoro-1-(2-phenylmethoxyphenyl)propyl]piperazine
CID 171172743
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
2-ethoxy-6-[(1R)-1-piperazin-1-ylbutyl]phenol
CID 171296646
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine
CID 171283020
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295579
1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
CID 171295550
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3-fluoropropyl]piperazine
CID 171172771

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride (CID 171295565) is 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccccc1OCc1ccccc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
The InChIKey is NGTGPDKXTFPVAP-FAVHNTAZSA-N. The full InChI is InChI=1S/C21H28N2O.2ClH/c1-2-8-20(23-15-13-22-14-16-23)19-11-6-7-12-21(19)24-17-18-9-4-3-5-10-18;;/h3-7,9-12,20,22H,2,8,13-17H2,1H3;2*1H/t20-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).