1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol

C15H23ClN2O2 — CID 83013958

IUPAC1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNN2CCCCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-12-9-14(5-6-15(12)16)20-11-13(19)10-17-18-7-3-2-4-8-18/h5-6,9,13,17,19H,2-4,7-8,10-11H2,1H3
InChIKeyYGENXPLPPAJPHF-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol

1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol (PubChem CID 83013958) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
PubChem CID83013958
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
SMILESCc1cc(OCC(O)CNN2CCCCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-12-9-14(5-6-15(12)16)20-11-13(19)10-17-18-7-3-2-4-8-18/h5-6,9,13,17,19H,2-4,7-8,10-11H2,1H3
InChIKeyYGENXPLPPAJPHF-UHFFFAOYSA-N
XLogP2.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79101456
(2R)-1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 737301
1-(4-chloro-3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2770406
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-(2-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83014174
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
1-(4-chloro-3-methylphenoxy)-3-(2,3-dimethylbutylamino)propan-2-ol
CID 64571131
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol (CID 83013958) is 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol is Cc1cc(OCC(O)CNN2CCCCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
The InChIKey is YGENXPLPPAJPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-12-9-14(5-6-15(12)16)20-11-13(19)10-17-18-7-3-2-4-8-18/h5-6,9,13,17,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol?
1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol has a molecular weight of 298.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol is sourced from PubChem (CID 83013958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).