1-methyl-N-phenylmethoxypiperidin-3-amine

C13H20N2O — CID 82710116

IUPAC1-methyl-N-phenylmethoxypiperidin-3-amine
SMILESCN1CCCC(NOCc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c1-15-9-5-8-13(10-15)14-16-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeyUBVIVTSRDAKKNL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds4

About 1-methyl-N-phenylmethoxypiperidin-3-amine

1-methyl-N-phenylmethoxypiperidin-3-amine (PubChem CID 82710116) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-methyl-N-phenylmethoxypiperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-phenylmethoxypiperidin-3-amine
PubChem CID82710116
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-methyl-N-phenylmethoxypiperidin-3-amine
SMILESCN1CCCC(NOCc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c1-15-9-5-8-13(10-15)14-16-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeyUBVIVTSRDAKKNL-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-N-phenylmethoxypiperidin-3-amine 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

tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
CID 126709456
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391
1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine
CID 174919829
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
benzyl 2,4-dimethyl-1,4-diazepane-1-carboxylate
CID 130581143
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
CID 82712792

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenylmethoxypiperidin-3-amine?
The IUPAC name of 1-methyl-N-phenylmethoxypiperidin-3-amine (CID 82710116) is 1-methyl-N-phenylmethoxypiperidin-3-amine.
What is the SMILES notation for 1-methyl-N-phenylmethoxypiperidin-3-amine?
The canonical SMILES for 1-methyl-N-phenylmethoxypiperidin-3-amine is CN1CCCC(NOCc2ccccc2)C1.
What is the InChIKey of 1-methyl-N-phenylmethoxypiperidin-3-amine?
The InChIKey is UBVIVTSRDAKKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-9-5-8-13(10-15)14-16-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3.
What are the key properties of 1-methyl-N-phenylmethoxypiperidin-3-amine?
1-methyl-N-phenylmethoxypiperidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenylmethoxypiperidin-3-amine is sourced from PubChem (CID 82710116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).