(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol

C27H30ClNO3 — CID 53464119

IUPAC(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
SMILESO[C@H](COc1ccc(Cl)cc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30ClNO3/c28-24-11-13-26(14-12-24)32-20-25(30)19-29-17-15-23(16-18-29)27(31,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25,30-31H,15-20H2/t25-/m0/s1
InChIKeyQFQYGTAAFWPYKC-VWLOTQADSA-N
MW451.99 g/mol
LogP4.73
Rot. Bonds8

About (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol

(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 53464119) has the molecular formula C27H30ClNO3 and a molecular weight of 451.99 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
PubChem CID53464119
Molecular FormulaC27H30ClNO3
Molecular Weight451.99 g/mol
Exact Mass451.19
IUPAC Name(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
SMILESO[C@H](COc1ccc(Cl)cc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H30ClNO3/c28-24-11-13-26(14-12-24)32-20-25(30)19-29-17-15-23(16-18-29)27(31,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25,30-31H,15-20H2/t25-/m0/s1
InChIKeyQFQYGTAAFWPYKC-VWLOTQADSA-N
XLogP4.73
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.99
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 26917919
3-[(2S)-2-hydroxy-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzonitrile
CID 53464112
[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
CID 74227411
[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol
CID 54669647
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
N-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 49231615

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol (CID 53464119) is (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol is O[C@H](COc1ccc(Cl)cc1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is QFQYGTAAFWPYKC-VWLOTQADSA-N. The full InChI is InChI=1S/C27H30ClNO3/c28-24-11-13-26(14-12-24)32-20-25(30)19-29-17-15-23(16-18-29)27(31,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25,30-31H,15-20H2/t25-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 451.99 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 53464119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).