4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol

C15H22ClNO2 — CID 114510368

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClNO2/c1-3-12-10-17-7-6-15(12,18)9-11-8-13(16)4-5-14(11)19-2/h4-5,8,12,17-18H,3,6-7,9-10H2,1-2H3
InChIKeyWSEUURJWPLYTJW-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.64
Rot. Bonds4

About 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol

4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol (PubChem CID 114510368) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
PubChem CID114510368
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClNO2/c1-3-12-10-17-7-6-15(12,18)9-11-8-13(16)4-5-14(11)19-2/h4-5,8,12,17-18H,3,6-7,9-10H2,1-2H3
InChIKeyWSEUURJWPLYTJW-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114510405
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
2-tert-butyl-1-[(5-chloro-2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65147543
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
4-(2,5-dimethoxyphenyl)-3-ethylpiperidin-4-ol
CID 114510480
4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol
CID 65148883
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 83079886
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol (CID 114510368) is 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol is CCC1CNCCC1(O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol?
The InChIKey is WSEUURJWPLYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-12-10-17-7-6-15(12,18)9-11-8-13(16)4-5-14(11)19-2/h4-5,8,12,17-18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol?
4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol has a molecular weight of 283.80 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methyl]-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114510368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).