1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C16H26ClNO3 — CID 2770246

IUPAC1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CN2CCCCC2C)c1.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-13-6-3-4-9-17(13)11-14(18)12-20-16-8-5-7-15(10-16)19-2;/h5,7-8,10,13-14,18H,3-4,6,9,11-12H2,1-2H3;1H
InChIKeyKOYIKOBUWKXQJU-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.73
Rot. Bonds6

About 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 2770246) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID2770246
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCOc1cccc(OCC(O)CN2CCCCC2C)c1.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-13-6-3-4-9-17(13)11-14(18)12-20-16-8-5-7-15(10-16)19-2;/h5,7-8,10,13-14,18H,3-4,6,9,11-12H2,1-2H3;1H
InChIKeyKOYIKOBUWKXQJU-UHFFFAOYSA-N
XLogP2.73
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
(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
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-yl]propoxy]benzonitrile
CID 92983492
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
(2S)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 7165322

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 2770246) is 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride is COc1cccc(OCC(O)CN2CCCCC2C)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is KOYIKOBUWKXQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.ClH/c1-13-6-3-4-9-17(13)11-14(18)12-20-16-8-5-7-15(10-16)19-2;/h5,7-8,10,13-14,18H,3-4,6,9,11-12H2,1-2H3;1H.
What are the key properties of 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 2770246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).