1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine

C22H30N2O — CID 171293821

IUPAC1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
SMILESCC(C)(C)[C@H](c1cccc(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C22H30N2O/c1-22(2,3)21(24-14-12-23-13-15-24)19-10-7-11-20(16-19)25-17-18-8-5-4-6-9-18/h4-11,16,21,23H,12-15,17H2,1-3H3/t21-/m0/s1
InChIKeyKUYUAECHHDHKJS-NRFANRHFSA-N
MW338.50 g/mol
LogP4.26
Rot. Bonds5

About 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine

1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine (PubChem CID 171293821) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
PubChem CID171293821
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
SMILESCC(C)(C)[C@H](c1cccc(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C22H30N2O/c1-22(2,3)21(24-14-12-23-13-15-24)19-10-7-11-20(16-19)25-17-18-8-5-4-6-9-18/h4-11,16,21,23H,12-15,17H2,1-3H3/t21-/m0/s1
InChIKeyKUYUAECHHDHKJS-NRFANRHFSA-N
XLogP4.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281175
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
(3R)-2,2-dimethyl-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171190739
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
3-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272827
1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3504190
1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3759921
1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179653
1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171281190
1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane
CID 3770169

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine (CID 171293821) is 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine is CC(C)(C)[C@H](c1cccc(OCc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine?
The InChIKey is KUYUAECHHDHKJS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O/c1-22(2,3)21(24-14-12-23-13-15-24)19-10-7-11-20(16-19)25-17-18-8-5-4-6-9-18/h4-11,16,21,23H,12-15,17H2,1-3H3/t21-/m0/s1.
What are the key properties of 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine?
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine has a molecular weight of 338.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine is sourced from PubChem (CID 171293821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).