N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine

C20H27N3O2 — CID 140983467

IUPACN-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine
SMILESC1=CC(=NOCC(CN2CCCCC2)OCc2ccccc2)CN=C1
InChIInChI=1S/C20H27N3O2/c1-3-8-18(9-4-1)16-24-20(15-23-12-5-2-6-13-23)17-25-22-19-10-7-11-21-14-19/h1,3-4,7-11,20H,2,5-6,12-17H2
InChIKeyLHZMJIPUCWREKL-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.07
Rot. Bonds8

About N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine

N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine (PubChem CID 140983467) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine.

Molecular Properties

Compound NameN-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine
PubChem CID140983467
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine
SMILESC1=CC(=NOCC(CN2CCCCC2)OCc2ccccc2)CN=C1
InChIInChI=1S/C20H27N3O2/c1-3-8-18(9-4-1)16-24-20(15-23-12-5-2-6-13-23)17-25-22-19-10-7-11-21-14-19/h1,3-4,7-11,20H,2,5-6,12-17H2
InChIKeyLHZMJIPUCWREKL-UHFFFAOYSA-N
XLogP3.07
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine
CID 14691986
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[4-(3-hexadecoxy-2-phenylmethoxypropoxy)butyl]azepane
CID 70484915
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-benzyl-4-(2-phenylmethoxy-3-trityloxypropyl)piperazine
CID 118166318
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(2-phenylmethoxy-3-trityloxypropyl)piperazine
CID 123176506
1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
CID 3477128
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
1-[2-[(3,5-dimethylphenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine;dihydrochloride
CID 24842661
benzyl 3-amino-3-hydroxy-2-(piperidin-1-ylmethyl)propanoate
CID 154447907

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine?
The IUPAC name of N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine (CID 140983467) is N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine.
What is the SMILES notation for N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine?
The canonical SMILES for N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine is C1=CC(=NOCC(CN2CCCCC2)OCc2ccccc2)CN=C1.
What is the InChIKey of N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine?
The InChIKey is LHZMJIPUCWREKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-8-18(9-4-1)16-24-20(15-23-12-5-2-6-13-23)17-25-22-19-10-7-11-21-14-19/h1,3-4,7-11,20H,2,5-6,12-17H2.
What are the key properties of N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine?
N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine has a molecular weight of 341.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine is sourced from PubChem (CID 140983467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).