3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride

C18H30ClNO2 — CID 126477875

IUPAC3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride
SMILESCCOc1ccc(C(O)(CC)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-3-18(20,12-15-19-13-6-5-7-14-19)16-8-10-17(11-9-16)21-4-2;/h8-11,20H,3-7,12-15H2,1-2H3;1H
InChIKeyMFONCJGYEKMWFZ-UHFFFAOYSA-N
MW327.90 g/mol
LogP3.98
Rot. Bonds7

About 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride

3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride (PubChem CID 126477875) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride
PubChem CID126477875
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride
SMILESCCOc1ccc(C(O)(CC)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-3-18(20,12-15-19-13-6-5-7-14-19)16-8-10-17(11-9-16)21-4-2;/h8-11,20H,3-7,12-15H2,1-2H3;1H
InChIKeyMFONCJGYEKMWFZ-UHFFFAOYSA-N
XLogP3.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
CID 775832
3-(4-ethoxyphenyl)-1-piperidin-1-ylhexan-3-ol
CID 3125347
(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
CID 7183676
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 1114639
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
1-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]piperidine;oxalic acid
CID 2922263
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 24748034

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride?
The IUPAC name of 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride (CID 126477875) is 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride is CCOc1ccc(C(O)(CC)CCN2CCCCC2)cc1.Cl.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride?
The InChIKey is MFONCJGYEKMWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-3-18(20,12-15-19-13-6-5-7-14-19)16-8-10-17(11-9-16)21-4-2;/h8-11,20H,3-7,12-15H2,1-2H3;1H.
What are the key properties of 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride?
3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride is sourced from PubChem (CID 126477875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).