1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine

C23H32N2O — CID 171283020

IUPAC1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine
SMILESCCC[C@@H](c1cc(C)c(OCc2ccccc2)c(C)c1)N1CCNCC1
InChIInChI=1S/C23H32N2O/c1-4-8-22(25-13-11-24-12-14-25)21-15-18(2)23(19(3)16-21)26-17-20-9-6-5-7-10-20/h5-7,9-10,15-16,22,24H,4,8,11-14,17H2,1-3H3/t22-/m0/s1
InChIKeyRVSBVDODVQPBCC-QFIPXVFZSA-N
MW352.52 g/mol
LogP4.63
Rot. Bonds7

About 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine

1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine (PubChem CID 171283020) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine
PubChem CID171283020
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine
SMILESCCC[C@@H](c1cc(C)c(OCc2ccccc2)c(C)c1)N1CCNCC1
InChIInChI=1S/C23H32N2O/c1-4-8-22(25-13-11-24-12-14-25)21-15-18(2)23(19(3)16-21)26-17-20-9-6-5-7-10-20/h5-7,9-10,15-16,22,24H,4,8,11-14,17H2,1-3H3/t22-/m0/s1
InChIKeyRVSBVDODVQPBCC-QFIPXVFZSA-N
XLogP4.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171282997
1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 5150431
1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295622
1-[(S)-cyclohexyl-(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]piperazine
CID 171283012
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
1-[(S)-(3,5-dimethyl-4-phenylmethoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171283016
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295603
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355
1-[(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)hexyl]piperazine
CID 171309655
1-[(1S)-1-(3,5-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171275537
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine (CID 171283020) is 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine is CCC[C@@H](c1cc(C)c(OCc2ccccc2)c(C)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine?
The InChIKey is RVSBVDODVQPBCC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-8-22(25-13-11-24-12-14-25)21-15-18(2)23(19(3)16-21)26-17-20-9-6-5-7-10-20/h5-7,9-10,15-16,22,24H,4,8,11-14,17H2,1-3H3/t22-/m0/s1.
What are the key properties of 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine?
1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine has a molecular weight of 352.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)butyl]piperazine is sourced from PubChem (CID 171283020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).