(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol

C21H25Cl2NO2 — CID 2321616

IUPAC(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C21H25Cl2NO2/c22-18-8-4-16(5-9-18)21(17-6-10-19(23)11-7-17)26-15-20(25)14-24-12-2-1-3-13-24/h4-11,20-21,25H,1-3,12-15H2/t20-/m0/s1
InChIKeyMTHBBLOCKYFYHP-FQEVSTJZSA-N
MW394.34 g/mol
LogP4.95
Rot. Bonds7

About (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol

(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 2321616) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID2321616
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC Name(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCCCC1
InChIInChI=1S/C21H25Cl2NO2/c22-18-8-4-16(5-9-18)21(17-6-10-19(23)11-7-17)26-15-20(25)14-24-12-2-1-3-13-24/h4-11,20-21,25H,1-3,12-15H2/t20-/m0/s1
InChIKeyMTHBBLOCKYFYHP-FQEVSTJZSA-N
XLogP4.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 7746000
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-[(2R)-2-ethylpiperidin-1-yl]propan-2-ol
CID 7746013
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
[4-[(2S)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 25359245
(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
1-[2-(4-chlorophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol
CID 3709634
1-[2-(4-chlorophenoxy)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 4670670
1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
CID 4801613
1-[1-(4-chlorophenyl)ethoxy]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110891581
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol (CID 2321616) is (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol is O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCCCC1.
What is the InChIKey of (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is MTHBBLOCKYFYHP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c22-18-8-4-16(5-9-18)21(17-6-10-19(23)11-7-17)26-15-20(25)14-24-12-2-1-3-13-24/h4-11,20-21,25H,1-3,12-15H2/t20-/m0/s1.
What are the key properties of (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 394.34 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 2321616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).