[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine

C16H26N2O — CID 62935912

IUPAC[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(CCCOc2ccccc2)C1CN
InChIInChI=1S/C16H26N2O/c1-14-7-5-10-18(16(14)13-17)11-6-12-19-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,17H2,1H3
InChIKeyHOYMBQRVRFJXIQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.51
Rot. Bonds6

About [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine

[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine (PubChem CID 62935912) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
PubChem CID62935912
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
SMILESCC1CCCN(CCCOc2ccccc2)C1CN
InChIInChI=1S/C16H26N2O/c1-14-7-5-10-18(16(14)13-17)11-6-12-19-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,17H2,1H3
InChIKeyHOYMBQRVRFJXIQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine 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-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 119926119
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
CID 114876398
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione
CID 119926222
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 119926221
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 102784580
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzonitrile
CID 62123740
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63067439
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine (CID 62935912) is [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine is CC1CCCN(CCCOc2ccccc2)C1CN.
What is the InChIKey of [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine?
The InChIKey is HOYMBQRVRFJXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-7-5-10-18(16(14)13-17)11-6-12-19-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,17H2,1H3.
What are the key properties of [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine?
[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 62935912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).