3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol

C17H27NO3 — CID 115873813

IUPAC3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
SMILESCCCOc1ccc(OCCN2CCCC(C)(O)C2)cc1
InChIInChI=1S/C17H27NO3/c1-3-12-20-15-5-7-16(8-6-15)21-13-11-18-10-4-9-17(2,19)14-18/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyATNOGEFIEYVNGH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.70
Rot. Bonds7

About 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol

3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol (PubChem CID 115873813) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
PubChem CID115873813
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
SMILESCCCOc1ccc(OCCN2CCCC(C)(O)C2)cc1
InChIInChI=1S/C17H27NO3/c1-3-12-20-15-5-7-16(8-6-15)21-13-11-18-10-4-9-17(2,19)14-18/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyATNOGEFIEYVNGH-UHFFFAOYSA-N
XLogP2.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-3-methylpiperidin-3-ol
CID 99955193
1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
CID 146124310
4-[2-(4-hydroxy-4-methylazepan-1-yl)ethoxy]benzonitrile
CID 107404531
3-methyl-9-[2-(4-propoxyphenoxy)ethyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56914456
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652
(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
2-[2-(4-propoxyphenoxy)ethyl]-7-oxa-2-azaspiro[4.5]decane
CID 131962031
[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 107394501

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol (CID 115873813) is 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol is CCCOc1ccc(OCCN2CCCC(C)(O)C2)cc1.
What is the InChIKey of 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
The InChIKey is ATNOGEFIEYVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-12-20-15-5-7-16(8-6-15)21-13-11-18-10-4-9-17(2,19)14-18/h5-8,19H,3-4,9-14H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol?
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol has a molecular weight of 293.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol is sourced from PubChem (CID 115873813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).