1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol

C19H24N2O2 — CID 45200033

IUPAC1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
SMILESOC(COc1ccccc1-c1ccncc1)CN1CCCCC1
InChIInChI=1S/C19H24N2O2/c22-17(14-21-12-4-1-5-13-21)15-23-19-7-3-2-6-18(19)16-8-10-20-11-9-16/h2-3,6-11,17,22H,1,4-5,12-15H2
InChIKeyBPYKDBVIAXYRBZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.97
Rot. Bonds6

About 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol

1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol (PubChem CID 45200033) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
PubChem CID45200033
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
SMILESOC(COc1ccccc1-c1ccncc1)CN1CCCCC1
InChIInChI=1S/C19H24N2O2/c22-17(14-21-12-4-1-5-13-21)15-23-19-7-3-2-6-18(19)16-8-10-20-11-9-16/h2-3,6-11,17,22H,1,4-5,12-15H2
InChIKeyBPYKDBVIAXYRBZ-UHFFFAOYSA-N
XLogP2.97
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-1H-pyridin-2-one
CID 72883625
(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-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842332
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
CID 43288772
1-(azepan-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol chloride
CID 46863854
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol?
The IUPAC name of 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol (CID 45200033) is 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol is OC(COc1ccccc1-c1ccncc1)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol?
The InChIKey is BPYKDBVIAXYRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-17(14-21-12-4-1-5-13-21)15-23-19-7-3-2-6-18(19)16-8-10-20-11-9-16/h2-3,6-11,17,22H,1,4-5,12-15H2.
What are the key properties of 1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol?
1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol has a molecular weight of 312.41 g/mol, XLogP of 2.97, 6 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-(2-pyridin-4-ylphenoxy)propan-2-ol is sourced from PubChem (CID 45200033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).