[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol

C17H27NO3 — CID 60684684

IUPAC[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
SMILESCCCOc1ccc(OCCN2CCCCC2CO)cc1
InChIInChI=1S/C17H27NO3/c1-2-12-20-16-6-8-17(9-7-16)21-13-11-18-10-4-3-5-15(18)14-19/h6-9,15,19H,2-5,10-14H2,1H3
InChIKeyPDTNUVPLLYYDJJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.70
Rot. Bonds8

About [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol

[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol (PubChem CID 60684684) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
PubChem CID60684684
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
SMILESCCCOc1ccc(OCCN2CCCCC2CO)cc1
InChIInChI=1S/C17H27NO3/c1-2-12-20-16-6-8-17(9-7-16)21-13-11-18-10-4-3-5-15(18)14-19/h6-9,15,19H,2-5,10-14H2,1H3
InChIKeyPDTNUVPLLYYDJJ-UHFFFAOYSA-N
XLogP2.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275
4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide
CID 61407004
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62046348
[1-[3-(3,4-dimethylphenoxy)propyl]azepan-2-yl]methanol
CID 116637387
[(2S)-1-(4-propoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028252
4-[2-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
CID 63068600
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833
[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 162650307

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol (CID 60684684) is [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol is CCCOc1ccc(OCCN2CCCCC2CO)cc1.
What is the InChIKey of [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol?
The InChIKey is PDTNUVPLLYYDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-12-20-16-6-8-17(9-7-16)21-13-11-18-10-4-3-5-15(18)14-19/h6-9,15,19H,2-5,10-14H2,1H3.
What are the key properties of [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol?
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 60684684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).