3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C26H37N3O2 — CID 68612964

IUPAC3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESc1ccc(COCCCCC2CCCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C26H37N3O2/c1-2-9-22(10-3-1)20-30-16-7-5-13-24-12-4-6-15-29(24)25-17-26(19-27-18-25)31-21-23-11-8-14-28-23/h1-3,9-10,17-19,23-24,28H,4-8,11-16,20-21H2/t23-,24?/m0/s1
InChIKeyOEBKYJLWRDLUKJ-UXMRNZNESA-N
MW423.60 g/mol
LogP4.96
Rot. Bonds11

About 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 68612964) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID68612964
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESc1ccc(COCCCCC2CCCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1
InChIInChI=1S/C26H37N3O2/c1-2-9-22(10-3-1)20-30-16-7-5-13-24-12-4-6-15-29(24)25-17-26(19-27-18-25)31-21-23-11-8-14-28-23/h1-3,9-10,17-19,23-24,28H,4-8,11-16,20-21H2/t23-,24?/m0/s1
InChIKeyOEBKYJLWRDLUKJ-UXMRNZNESA-N
XLogP4.96
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]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

3-[3-(3-phenylmethoxypropyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
CID 68612270
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
3-[4-[2-(pyridin-3-ylmethoxy)ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 59371754
5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 59371570
(5S)-5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 59371335
tert-butyl (2S)-2-[[5-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate;3-[(3S)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 157324845
3-[4-(2-cyclohexyloxyethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 68611410
tert-butyl (2S)-2-[[5-[4-[2-(pyridin-3-ylmethoxy)ethyl]piperidin-1-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate;3-[4-[2-(pyridin-3-ylmethoxy)ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 162232789
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
4-[2-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperidin-4-yl]ethoxy]phenol
CID 59371523
3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 68612034
3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 70881858

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 68612964) is 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is c1ccc(COCCCCC2CCCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1.
What is the InChIKey of 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is OEBKYJLWRDLUKJ-UXMRNZNESA-N. The full InChI is InChI=1S/C26H37N3O2/c1-2-9-22(10-3-1)20-30-16-7-5-13-24-12-4-6-15-29(24)25-17-26(19-27-18-25)31-21-23-11-8-14-28-23/h1-3,9-10,17-19,23-24,28H,4-8,11-16,20-21H2/t23-,24?/m0/s1.
What are the key properties of 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 423.60 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 68612964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).