1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

C17H26ClNO3 — CID 4801923

IUPAC1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESOCCC1CCCCN1CC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO3/c18-15-6-4-14(5-7-15)12-22-13-17(21)11-19-9-2-1-3-16(19)8-10-20/h4-7,16-17,20-21H,1-3,8-13H2
InChIKeyQCVROBCHMWQFFE-UHFFFAOYSA-N
MW327.85 g/mol
LogP2.45
Rot. Bonds8

About 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (PubChem CID 4801923) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
PubChem CID4801923
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESOCCC1CCCCN1CC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO3/c18-15-6-4-14(5-7-15)12-22-13-17(21)11-19-9-2-1-3-16(19)8-10-20/h4-7,16-17,20-21H,1-3,8-13H2
InChIKeyQCVROBCHMWQFFE-UHFFFAOYSA-N
XLogP2.45
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (CID 4801923) is 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is OCCC1CCCCN1CC(O)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is QCVROBCHMWQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c18-15-6-4-14(5-7-15)12-22-13-17(21)11-19-9-2-1-3-16(19)8-10-20/h4-7,16-17,20-21H,1-3,8-13H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 327.85 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 4801923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).