3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine

C17H24N2O — CID 106588436

IUPAC3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
SMILESCOCC1CCCN(Cc2ccccc2C#CCN)C1
InChIInChI=1S/C17H24N2O/c1-20-14-15-6-5-11-19(12-15)13-17-8-3-2-7-16(17)9-4-10-18/h2-3,7-8,15H,5-6,10-14,18H2,1H3
InChIKeyGLPHHDOXQREEJU-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.86
Rot. Bonds4

About 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine

3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine (PubChem CID 106588436) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
PubChem CID106588436
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
SMILESCOCC1CCCN(Cc2ccccc2C#CCN)C1
InChIInChI=1S/C17H24N2O/c1-20-14-15-6-5-11-19(12-15)13-17-8-3-2-7-16(17)9-4-10-18/h2-3,7-8,15H,5-6,10-14,18H2,1H3
InChIKeyGLPHHDOXQREEJU-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-fluoro-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588437
3-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenyl]prop-2-yn-1-amine
CID 79916751
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
3-[4-methoxy-2-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964528
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278
3-[2-(1,4-thiazepan-4-ylmethyl)phenyl]prop-2-yn-1-amine
CID 54969955
methyl 2-amino-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoate
CID 106585977
N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide
CID 95213607
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine (CID 106588436) is 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine is COCC1CCCN(Cc2ccccc2C#CCN)C1.
What is the InChIKey of 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is GLPHHDOXQREEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-20-14-15-6-5-11-19(12-15)13-17-8-3-2-7-16(17)9-4-10-18/h2-3,7-8,15H,5-6,10-14,18H2,1H3.
What are the key properties of 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine?
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 272.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 106588436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).