3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol

C16H24ClNO2 — CID 117239259

IUPAC3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
SMILESCCN1CCC(C(CO)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClNO2/c1-2-18-9-7-13(8-10-18)14(11-19)12-20-16-6-4-3-5-15(16)17/h3-6,13-14,19H,2,7-12H2,1H3
InChIKeyIQBXPOGESFEYCJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.06
Rot. Bonds6

About 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol

3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol (PubChem CID 117239259) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
PubChem CID117239259
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
SMILESCCN1CCC(C(CO)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClNO2/c1-2-18-9-7-13(8-10-18)14(11-19)12-20-16-6-4-3-5-15(16)17/h3-6,13-14,19H,2,7-12H2,1H3
InChIKeyIQBXPOGESFEYCJ-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
CID 117239255
4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
CID 117239428
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
CID 117245425
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237826
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
CID 119518980

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol (CID 117239259) is 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol is CCN1CCC(C(CO)COc2ccccc2Cl)CC1.
What is the InChIKey of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol?
The InChIKey is IQBXPOGESFEYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-18-9-7-13(8-10-18)14(11-19)12-20-16-6-4-3-5-15(16)17/h3-6,13-14,19H,2,7-12H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol?
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 117239259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).