1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol

C21H26ClNO3 — CID 74227411

IUPAC1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
SMILESCOc1ccccc1C1CCN(CC(O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClNO3/c1-25-21-5-3-2-4-20(21)16-10-12-23(13-11-16)14-18(24)15-26-19-8-6-17(22)7-9-19/h2-9,16,18,24H,10-15H2,1H3
InChIKeyCREYQIYSGWIDJX-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.97
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol

1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol (PubChem CID 74227411) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
PubChem CID74227411
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
SMILESCOc1ccccc1C1CCN(CC(O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClNO3/c1-25-21-5-3-2-4-20(21)16-10-12-23(13-11-16)14-18(24)15-26-19-8-6-17(22)7-9-19/h2-9,16,18,24H,10-15H2,1H3
InChIKeyCREYQIYSGWIDJX-UHFFFAOYSA-N
XLogP3.97
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 10294850
(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 53464119
2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 3771326
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 111437418
N-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 49231615
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-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523
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-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol (CID 74227411) is 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol is COc1ccccc1C1CCN(CC(O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol?
The InChIKey is CREYQIYSGWIDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-25-21-5-3-2-4-20(21)16-10-12-23(13-11-16)14-18(24)15-26-19-8-6-17(22)7-9-19/h2-9,16,18,24H,10-15H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol?
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol has a molecular weight of 375.90 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 74227411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).