1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride

C23H32Cl2N2O2 — CID 171281190

IUPAC1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2cccc([C@H](C3CCOCC3)N3CCNCC3)c2)cc1
InChIInChI=1S/C23H30N2O2.2ClH/c1-2-5-19(6-3-1)18-27-22-8-4-7-21(17-22)23(20-9-15-26-16-10-20)25-13-11-24-12-14-25;;/h1-8,17,20,23-24H,9-16,18H2;2*1H/t23-;;/m0../s1
InChIKeyIUWWKPZTAANVGZ-IFUPQEAVSA-N
MW439.43 g/mol
LogP4.48
Rot. Bonds6

About 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride

1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171281190) has the molecular formula C23H32Cl2N2O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171281190
Molecular FormulaC23H32Cl2N2O2
Molecular Weight439.43 g/mol
Exact Mass438.18
IUPAC Name1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2cccc([C@H](C3CCOCC3)N3CCNCC3)c2)cc1
InChIInChI=1S/C23H30N2O2.2ClH/c1-2-5-19(6-3-1)18-27-22-8-4-7-21(17-22)23(20-9-15-26-16-10-20)25-13-11-24-12-14-25;;/h1-8,17,20,23-24H,9-16,18H2;2*1H/t23-;;/m0../s1
InChIKeyIUWWKPZTAANVGZ-IFUPQEAVSA-N
XLogP4.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride 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-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
1-[(R)-oxan-4-yl-(3-phenoxyphenyl)methyl]piperazine
CID 171286975
1-[(S)-[3-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278228
1-[(R)-(4-methoxy-3-phenylmethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171294768
1-[(S)-(3,5-dimethyl-4-phenylmethoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171283016
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818
1-[(S)-oxan-4-yl-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279633
1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281175
1-[(S)-oxan-4-yl-(4-phenoxyphenyl)methyl]piperazine
CID 171279715
1-[(S)-(3,4-diphenoxyphenyl)-(oxan-4-yl)methyl]piperazine
CID 171272748
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride (CID 171281190) is 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride is Cl.Cl.c1ccc(COc2cccc([C@H](C3CCOCC3)N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is IUWWKPZTAANVGZ-IFUPQEAVSA-N. The full InChI is InChI=1S/C23H30N2O2.2ClH/c1-2-5-19(6-3-1)18-27-22-8-4-7-21(17-22)23(20-9-15-26-16-10-20)25-13-11-24-12-14-25;;/h1-8,17,20,23-24H,9-16,18H2;2*1H/t23-;;/m0../s1.
What are the key properties of 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 439.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).