1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol

C17H27NO2 — CID 3395732

IUPAC1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
SMILESCCc1ccc(OCC(O)CN2CCCCC2C)cc1
InChIInChI=1S/C17H27NO2/c1-3-15-7-9-17(10-8-15)20-13-16(19)12-18-11-5-4-6-14(18)2/h7-10,14,16,19H,3-6,11-13H2,1-2H3
InChIKeyHVPKCRPSZRFTBQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol

1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol (PubChem CID 3395732) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
PubChem CID3395732
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
SMILESCCc1ccc(OCC(O)CN2CCCCC2C)cc1
InChIInChI=1S/C17H27NO2/c1-3-15-7-9-17(10-8-15)20-13-16(19)12-18-11-5-4-6-14(18)2/h7-10,14,16,19H,3-6,11-13H2,1-2H3
InChIKeyHVPKCRPSZRFTBQ-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
2-[4-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]acetonitrile
CID 100836371
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-yl]propoxy]benzonitrile
CID 92983492
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798587
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18087043

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol (CID 3395732) is 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol is CCc1ccc(OCC(O)CN2CCCCC2C)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is HVPKCRPSZRFTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-15-7-9-17(10-8-15)20-13-16(19)12-18-11-5-4-6-14(18)2/h7-10,14,16,19H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol?
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 3395732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).