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

C19H31NO2 — CID 82073755

IUPAC3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CCN2CCCCC2CC)cc1
InChIInChI=1S/C19H31NO2/c1-3-15-22-18-10-8-16(9-11-18)19(21)12-14-20-13-6-5-7-17(20)4-2/h8-11,17,19,21H,3-7,12-15H2,1-2H3
InChIKeyLOQDAPRFGOXGDU-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.16
Rot. Bonds8

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

3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol (PubChem CID 82073755) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
PubChem CID82073755
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CCN2CCCCC2CC)cc1
InChIInChI=1S/C19H31NO2/c1-3-15-22-18-10-8-16(9-11-18)19(21)12-14-20-13-6-5-7-17(20)4-2/h8-11,17,19,21H,3-7,12-15H2,1-2H3
InChIKeyLOQDAPRFGOXGDU-UHFFFAOYSA-N
XLogP4.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
2-(2-ethylpyrrolidin-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 60973388
1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074086
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416
4-[2-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
CID 63068600
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol (CID 82073755) is 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(O)CCN2CCCCC2CC)cc1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol?
The InChIKey is LOQDAPRFGOXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-15-22-18-10-8-16(9-11-18)19(21)12-14-20-13-6-5-7-17(20)4-2/h8-11,17,19,21H,3-7,12-15H2,1-2H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol?
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol has a molecular weight of 305.46 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 82073755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).