(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol

C26H29ClN2O2 — CID 2327371

IUPAC(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C26H29ClN2O2/c27-24-13-7-8-14-25(24)29-17-15-28(16-18-29)19-23(30)20-31-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,30H,15-20H2/t23-/m0/s1
InChIKeyLHRIVSFQXKAOOV-QHCPKHFHSA-N
MW436.98 g/mol
LogP4.63
Rot. Bonds8

About (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol

(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 2327371) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID2327371
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC Name(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESO[C@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C26H29ClN2O2/c27-24-13-7-8-14-25(24)29-17-15-28(16-18-29)19-23(30)20-31-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,30H,15-20H2/t23-/m0/s1
InChIKeyLHRIVSFQXKAOOV-QHCPKHFHSA-N
XLogP4.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
(2R)-1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 7746132
1-benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-2-ol
CID 4224882
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 7746000
1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 4024808
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol;oxalic acid
CID 18778135
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol (CID 2327371) is (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol is O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is LHRIVSFQXKAOOV-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H29ClN2O2/c27-24-13-7-8-14-25(24)29-17-15-28(16-18-29)19-23(30)20-31-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,30H,15-20H2/t23-/m0/s1.
What are the key properties of (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol?
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 436.98 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2327371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).