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

C18H28ClNO3 — CID 4799605

IUPAC1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCC(OCC(O)CN1CCCCC1CCO)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO3/c1-14(15-5-7-16(19)8-6-15)23-13-18(22)12-20-10-3-2-4-17(20)9-11-21/h5-8,14,17-18,21-22H,2-4,9-13H2,1H3
InChIKeyRRQYSZVQNSEVRF-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.02
Rot. Bonds8

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

1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (PubChem CID 4799605) has the molecular formula C18H28ClNO3 and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
PubChem CID4799605
Molecular FormulaC18H28ClNO3
Molecular Weight341.88 g/mol
Exact Mass341.18
IUPAC Name1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCC(OCC(O)CN1CCCCC1CCO)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO3/c1-14(15-5-7-16(19)8-6-15)23-13-18(22)12-20-10-3-2-4-17(20)9-11-21/h5-8,14,17-18,21-22H,2-4,9-13H2,1H3
InChIKeyRRQYSZVQNSEVRF-UHFFFAOYSA-N
XLogP3.02
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (CID 4799605) is 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is CC(OCC(O)CN1CCCCC1CCO)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is RRQYSZVQNSEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO3/c1-14(15-5-7-16(19)8-6-15)23-13-18(22)12-20-10-3-2-4-17(20)9-11-21/h5-8,14,17-18,21-22H,2-4,9-13H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 341.88 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 4799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).