1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol

C20H27NO2S — CID 13277420

IUPAC1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol
SMILESCC1CCCCN1CC(O)COc1ccccc1Cc1cccs1
InChIInChI=1S/C20H27NO2S/c1-16-7-4-5-11-21(16)14-18(22)15-23-20-10-3-2-8-17(20)13-19-9-6-12-24-19/h2-3,6,8-10,12,16,18,22H,4-5,7,11,13-15H2,1H3
InChIKeyQZHDDYMAVOAZMT-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.95
Rot. Bonds7

About 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol

1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol (PubChem CID 13277420) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol
PubChem CID13277420
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol
SMILESCC1CCCCN1CC(O)COc1ccccc1Cc1cccs1
InChIInChI=1S/C20H27NO2S/c1-16-7-4-5-11-21(16)14-18(22)15-23-20-10-3-2-8-17(20)13-19-9-6-12-24-19/h2-3,6,8-10,12,16,18,22H,4-5,7,11,13-15H2,1H3
InChIKeyQZHDDYMAVOAZMT-UHFFFAOYSA-N
XLogP3.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 142942876
(2S)-1-(2,4-dibromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51678302
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
(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
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol (CID 13277420) is 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol is CC1CCCCN1CC(O)COc1ccccc1Cc1cccs1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol?
The InChIKey is QZHDDYMAVOAZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-16-7-4-5-11-21(16)14-18(22)15-23-20-10-3-2-8-17(20)13-19-9-6-12-24-19/h2-3,6,8-10,12,16,18,22H,4-5,7,11,13-15H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol?
1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 345.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 13277420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).