(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol

C16H24ClNO2 — CID 11869844

IUPAC(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@@H](O)CN1CCCC[C@@H]1C
InChIInChI=1S/C16H24ClNO2/c1-12-9-14(17)6-7-16(12)20-11-15(19)10-18-8-4-3-5-13(18)2/h6-7,9,13,15,19H,3-5,8,10-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyPJSMOWNWLLFUFR-ZFWWWQNUSA-N
MW297.83 g/mol
LogP3.26
Rot. Bonds5

About (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol

(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol (PubChem CID 11869844) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
PubChem CID11869844
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@@H](O)CN1CCCC[C@@H]1C
InChIInChI=1S/C16H24ClNO2/c1-12-9-14(17)6-7-16(12)20-11-15(19)10-18-8-4-3-5-13(18)2/h6-7,9,13,15,19H,3-5,8,10-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyPJSMOWNWLLFUFR-ZFWWWQNUSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
(2S)-1-(2,4-dibromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51678302
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
(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
(2R)-1-(4-chloro-2-methylphenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol
CID 6948220
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
(2R)-1-(4-chloro-2-methylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1353039
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol (CID 11869844) is (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol is Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCCC[C@@H]1C.
What is the InChIKey of (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The InChIKey is PJSMOWNWLLFUFR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12-9-14(17)6-7-16(12)20-11-15(19)10-18-8-4-3-5-13(18)2/h6-7,9,13,15,19H,3-5,8,10-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 11869844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).