1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride

C13H23ClN2O2 — CID 172812158

IUPAC1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride
SMILESCl.OC(CON1C=CC=CC1)CN1CCCCC1
InChIInChI=1S/C13H22N2O2.ClH/c16-13(11-14-7-3-1-4-8-14)12-17-15-9-5-2-6-10-15;/h2,5-6,9,13,16H,1,3-4,7-8,10-12H2;1H
InChIKeySICPFEHPQOONCR-UHFFFAOYSA-N
MW274.79 g/mol
LogP1.57
Rot. Bonds5

About 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride

1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride (PubChem CID 172812158) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride
PubChem CID172812158
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride
SMILESCl.OC(CON1C=CC=CC1)CN1CCCCC1
InChIInChI=1S/C13H22N2O2.ClH/c16-13(11-14-7-3-1-4-8-14)12-17-15-9-5-2-6-10-15;/h2,5-6,9,13,16H,1,3-4,7-8,10-12H2;1H
InChIKeySICPFEHPQOONCR-UHFFFAOYSA-N
XLogP1.57
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 171852960
(2S)-1-[(1-oxido-2H-pyridin-1-ium-1-yl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 175759630
1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 171852964
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol
CID 40530981
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
CID 102309781
1-(azonan-1-yl)butan-2-ol
CID 130671766
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride (CID 172812158) is 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride is Cl.OC(CON1C=CC=CC1)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride?
The InChIKey is SICPFEHPQOONCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c16-13(11-14-7-3-1-4-8-14)12-17-15-9-5-2-6-10-15;/h2,5-6,9,13,16H,1,3-4,7-8,10-12H2;1H.
What are the key properties of 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride?
1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 172812158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).