[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine

C16H26N2O — CID 106587342

IUPAC[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
SMILESCOCC1CCCN(CCc2ccccc2CN)C1
InChIInChI=1S/C16H26N2O/c1-19-13-14-5-4-9-18(12-14)10-8-15-6-2-3-7-16(15)11-17/h2-3,6-7,14H,4-5,8-13,17H2,1H3
InChIKeyVRFMDWNXVMJFKO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.05
Rot. Bonds6

About [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine

[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine (PubChem CID 106587342) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
PubChem CID106587342
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
SMILESCOCC1CCCN(CCc2ccccc2CN)C1
InChIInChI=1S/C16H26N2O/c1-19-13-14-5-4-9-18(12-14)10-8-15-6-2-3-7-16(15)11-17/h2-3,6-7,14H,4-5,8-13,17H2,1H3
InChIKeyVRFMDWNXVMJFKO-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
[2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]phenyl]methanamine
CID 81322728
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349
1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589024
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
[1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 106587344
[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 63061791
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine (CID 106587342) is [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine is COCC1CCCN(CCc2ccccc2CN)C1.
What is the InChIKey of [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine?
The InChIKey is VRFMDWNXVMJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-13-14-5-4-9-18(12-14)10-8-15-6-2-3-7-16(15)11-17/h2-3,6-7,14H,4-5,8-13,17H2,1H3.
What are the key properties of [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine?
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine is sourced from PubChem (CID 106587342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).