[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone

C18H21N3O2 — CID 122516201

IUPAC[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
SMILESNCc1ccnc(OC2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H21N3O2/c19-12-14-8-9-20-17(11-14)23-16-7-4-10-21(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13,19H2
InChIKeyLXVLQMHTKLDKKV-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.22
Rot. Bonds4

About [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone

[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone (PubChem CID 122516201) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
PubChem CID122516201
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
SMILESNCc1ccnc(OC2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C18H21N3O2/c19-12-14-8-9-20-17(11-14)23-16-7-4-10-21(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13,19H2
InChIKeyLXVLQMHTKLDKKV-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone 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

2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 75474412
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
CID 159598247
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
CID 95316935
[(3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 122536455
[(3R)-3-[(4-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylthiophen-3-yl)methanone
CID 144697950
(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74240317
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone
CID 91625422

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone (CID 122516201) is [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone is NCc1ccnc(OC2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone?
The InChIKey is LXVLQMHTKLDKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-12-14-8-9-20-17(11-14)23-16-7-4-10-21(13-16)18(22)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13,19H2.
What are the key properties of [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone?
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone has a molecular weight of 311.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 122516201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).