4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine

C17H20N2O2 — CID 139888381

IUPAC4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine
SMILESc1ccc(OCOC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-4-16(5-3-1)20-14-21-17-8-12-19(13-9-17)15-6-10-18-11-7-15/h1-7,10-11,17H,8-9,12-14H2
InChIKeyOWDPBDBTKJWMNM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.10
Rot. Bonds5

About 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine

4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine (PubChem CID 139888381) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine
PubChem CID139888381
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine
SMILESc1ccc(OCOC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-4-16(5-3-1)20-14-21-17-8-12-19(13-9-17)15-6-10-18-11-7-15/h1-7,10-11,17H,8-9,12-14H2
InChIKeyOWDPBDBTKJWMNM-UHFFFAOYSA-N
XLogP3.10
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyridin-4-ylpiperidine-4-thiol
CID 153166689
(1-pyridin-4-ylpiperidin-4-yl) 3-(methylamino)-3-oxo-2-phenoxypropanoate
CID 67661649
4-(cyclopropyloxymethyl)-1-phenylpiperidine
CID 10443904
2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
CID 133464611
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
CID 58662916
CID 58662916
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
(1-pyridin-4-ylpiperidin-4-yl) N-(2-aminophenyl)carbamate
CID 10662925
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane
CID 142061203

Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine (CID 139888381) is 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine is c1ccc(OCOC2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine?
The InChIKey is OWDPBDBTKJWMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-4-16(5-3-1)20-14-21-17-8-12-19(13-9-17)15-6-10-18-11-7-15/h1-7,10-11,17H,8-9,12-14H2.
What are the key properties of 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine?
4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine has a molecular weight of 284.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 139888381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).