1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone

C17H25NO3 — CID 25278451

IUPAC1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@H](O)CN1CCCC[C@H]1C
InChIInChI=1S/C17H25NO3/c1-13-7-5-6-10-18(13)11-15(20)12-21-17-9-4-3-8-16(17)14(2)19/h3-4,8-9,13,15,20H,5-7,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeySJVQHTYMNXUMKQ-UKRRQHHQSA-N
MW291.39 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone

1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone (PubChem CID 25278451) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
PubChem CID25278451
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@H](O)CN1CCCC[C@H]1C
InChIInChI=1S/C17H25NO3/c1-13-7-5-6-10-18(13)11-15(20)12-21-17-9-4-3-8-16(17)14(2)19/h3-4,8-9,13,15,20H,5-7,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeySJVQHTYMNXUMKQ-UKRRQHHQSA-N
XLogP2.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.50
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-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485
(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-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol
CID 13277420
2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
CID 20986481
(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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone (CID 25278451) is 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone is CC(=O)c1ccccc1OC[C@H](O)CN1CCCC[C@H]1C.
What is the InChIKey of 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
The InChIKey is SJVQHTYMNXUMKQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-7-5-6-10-18(13)11-15(20)12-21-17-9-4-3-8-16(17)14(2)19/h3-4,8-9,13,15,20H,5-7,10-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone?
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone is sourced from PubChem (CID 25278451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).