3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol

C17H26ClNO2 — CID 110538030

IUPAC3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2ccc(OCC)c(Cl)c2)C1
InChIInChI=1S/C17H26ClNO2/c1-3-8-19-9-7-16(20)14(12-19)10-13-5-6-17(21-4-2)15(18)11-13/h5-6,11,14,16,20H,3-4,7-10,12H2,1-2H3
InChIKeyBYXPXMRHESYDKY-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.37
Rot. Bonds6

About 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol

3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol (PubChem CID 110538030) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
PubChem CID110538030
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2ccc(OCC)c(Cl)c2)C1
InChIInChI=1S/C17H26ClNO2/c1-3-8-19-9-7-16(20)14(12-19)10-13-5-6-17(21-4-2)15(18)11-13/h5-6,11,14,16,20H,3-4,7-10,12H2,1-2H3
InChIKeyBYXPXMRHESYDKY-UHFFFAOYSA-N
XLogP3.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol
CID 110534149
3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110537539
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
1-[1-[(3-chloro-4-ethoxyphenyl)methyl]pyrrolidin-3-yl]piperidine
CID 77095203
3-[(3-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370
(3R,4R)-4-(azepan-1-yl)-1-[(3-chloro-4-ethoxyphenyl)methyl]piperidin-3-ol
CID 25454792
3-[(2-chloro-4-nonoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110531882
1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
CID 110537453
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
The IUPAC name of 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol (CID 110538030) is 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)C(Cc2ccc(OCC)c(Cl)c2)C1.
What is the InChIKey of 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
The InChIKey is BYXPXMRHESYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-3-8-19-9-7-16(20)14(12-19)10-13-5-6-17(21-4-2)15(18)11-13/h5-6,11,14,16,20H,3-4,7-10,12H2,1-2H3.
What are the key properties of 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol has a molecular weight of 311.85 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 110538030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).