(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol

C15H22ClNO2 — CID 7024718

IUPAC(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C15H22ClNO2/c1-12-9-13(16)5-6-15(12)19-11-14(18)10-17-7-3-2-4-8-17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyNPDKCEQNSNHTEI-AWEZNQCLSA-N
MW283.80 g/mol
LogP2.87
Rot. Bonds5

About (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol

(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol (PubChem CID 7024718) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
PubChem CID7024718
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C15H22ClNO2/c1-12-9-13(16)5-6-15(12)19-11-14(18)10-17-7-3-2-4-8-17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyNPDKCEQNSNHTEI-AWEZNQCLSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-chloro-2-methylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1353039
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 1351068
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 30629645
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
(2R)-1-(azepan-1-yl)-3-[4-chloro-2-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97270084
(2S)-1-(azepan-1-yl)-3-[4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
CID 97282607
(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
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol (CID 7024718) is (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol is Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCCCC1.
What is the InChIKey of (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is NPDKCEQNSNHTEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-12-9-13(16)5-6-15(12)19-11-14(18)10-17-7-3-2-4-8-17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.87, 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-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 7024718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).