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

C15H22ClNO2 — CID 51422995

IUPAC(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
SMILESC[C@H]1CCCCN1C[C@H](O)COc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-12-6-4-5-9-17(12)10-13(18)11-19-15-8-3-2-7-14(15)16/h2-3,7-8,12-13,18H,4-6,9-11H2,1H3/t12-,13-/m0/s1
InChIKeyUKYJCOVBHITCED-STQMWFEESA-N
MW283.80 g/mol
LogP2.95
Rot. Bonds5

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

(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol (PubChem CID 51422995) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
PubChem CID51422995
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
SMILESC[C@H]1CCCCN1C[C@H](O)COc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-12-6-4-5-9-17(12)10-13(18)11-19-15-8-3-2-7-14(15)16/h2-3,7-8,12-13,18H,4-6,9-11H2,1H3/t12-,13-/m0/s1
InChIKeyUKYJCOVBHITCED-STQMWFEESA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
(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
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
(2S)-1-(2,4-dibromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51678302
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
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
(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 142942876
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol (CID 51422995) is (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol is C[C@H]1CCCCN1C[C@H](O)COc1ccccc1Cl.
What is the InChIKey of (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The InChIKey is UKYJCOVBHITCED-STQMWFEESA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-12-6-4-5-9-17(12)10-13(18)11-19-15-8-3-2-7-14(15)16/h2-3,7-8,12-13,18H,4-6,9-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 51422995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).