2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine

C16H26N2O — CID 106586332

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
SMILESCOCC1CCCN(C(CN)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-19-13-15-8-5-9-18(12-15)16(11-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyYTVCZVCVOPFDJM-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.91
Rot. Bonds6

About 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine

2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine (PubChem CID 106586332) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
PubChem CID106586332
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
SMILESCOCC1CCCN(C(CN)Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-19-13-15-8-5-9-18(12-15)16(11-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyYTVCZVCVOPFDJM-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-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

2-(3-ethylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 113417146
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 55157460
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
CID 106586452
2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 63972715
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine
CID 123870665
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine (CID 106586332) is 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine is COCC1CCCN(C(CN)Cc2ccccc2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine?
The InChIKey is YTVCZVCVOPFDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-13-15-8-5-9-18(12-15)16(11-17)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine?
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 106586332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).