[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol

C19H29NO3 — CID 171911651

IUPAC[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2cccc(OCCC3CCOC3)c2)C1
InChIInChI=1S/C19H29NO3/c21-14-18-4-2-8-20(13-18)12-17-3-1-5-19(11-17)23-10-7-16-6-9-22-15-16/h1,3,5,11,16,18,21H,2,4,6-10,12-15H2
InChIKeyGTZXNQQDSWZVTQ-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.70
Rot. Bonds7

About [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol

[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 171911651) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol
PubChem CID171911651
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2cccc(OCCC3CCOC3)c2)C1
InChIInChI=1S/C19H29NO3/c21-14-18-4-2-8-20(13-18)12-17-3-1-5-19(11-17)23-10-7-16-6-9-22-15-16/h1,3,5,11,16,18,21H,2,4,6-10,12-15H2
InChIKeyGTZXNQQDSWZVTQ-UHFFFAOYSA-N
XLogP2.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 171908907
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
1-[[(3R)-oxolan-3-yl]methyl]-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine
CID 95973699
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
CID 133117277
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
3-[2-(oxan-4-yl)ethoxy]phenol
CID 59526880
[(3aR,7aR)-2-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137337059
1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040637
(3R,4R)-3-[(2R)-1-[2-(3-ethylphenoxy)ethyl]pyrrolidin-2-yl]oxan-4-ol
CID 129447443
3-[(3R)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzoic acid
CID 97197480

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol (CID 171911651) is [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2cccc(OCCC3CCOC3)c2)C1.
What is the InChIKey of [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is GTZXNQQDSWZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-14-18-4-2-8-20(13-18)12-17-3-1-5-19(11-17)23-10-7-16-6-9-22-15-16/h1,3,5,11,16,18,21H,2,4,6-10,12-15H2.
What are the key properties of [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol?
[1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 319.44 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 [1-[[3-[2-(oxolan-3-yl)ethoxy]phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 171911651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).