(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol

C15H23NO2 — CID 7447463

IUPAC(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
SMILESC[C@H]1CCCN(C[C@H](O)COc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-13-6-5-9-16(10-13)11-14(17)12-18-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3/t13-,14-/m0/s1
InChIKeyRXTNWIVWLUJHAZ-KBPBESRZSA-N
MW249.35 g/mol
LogP2.16
Rot. Bonds5

About (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol

(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 7447463) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID7447463
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
SMILESC[C@H]1CCCN(C[C@H](O)COc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-13-6-5-9-16(10-13)11-14(17)12-18-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3/t13-,14-/m0/s1
InChIKeyRXTNWIVWLUJHAZ-KBPBESRZSA-N
XLogP2.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
3-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]benzonitrile
CID 43288589
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944
1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111108788
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237412
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
(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-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol (CID 7447463) is (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol is C[C@H]1CCCN(C[C@H](O)COc2ccccc2)C1.
What is the InChIKey of (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is RXTNWIVWLUJHAZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-6-5-9-16(10-13)11-14(17)12-18-15-7-3-2-4-8-15/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 7447463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).