[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine

C14H22N2O — CID 102814695

IUPAC[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
SMILESCN1CCCCC1COc1cccc(CN)c1
InChIInChI=1S/C14H22N2O/c1-16-8-3-2-6-13(16)11-17-14-7-4-5-12(9-14)10-15/h4-5,7,9,13H,2-3,6,8,10-11,15H2,1H3
InChIKeyWRPSFYCOOLXYSP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.01
Rot. Bonds4

About [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine

[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine (PubChem CID 102814695) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
PubChem CID102814695
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
SMILESCN1CCCCC1COc1cccc(CN)c1
InChIInChI=1S/C14H22N2O/c1-16-8-3-2-6-13(16)11-17-14-7-4-5-12(9-14)10-15/h4-5,7,9,13H,2-3,6,8,10-11,15H2,1H3
InChIKeyWRPSFYCOOLXYSP-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 65471883
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
[6-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 65471873
[2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 124673126
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511
[3-[(1-methylpiperidin-2-yl)methoxy]pyridazin-4-yl]methanamine
CID 80507893
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine (CID 102814695) is [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine is CN1CCCCC1COc1cccc(CN)c1.
What is the InChIKey of [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
The InChIKey is WRPSFYCOOLXYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-8-3-2-6-13(16)11-17-14-7-4-5-12(9-14)10-15/h4-5,7,9,13H,2-3,6,8,10-11,15H2,1H3.
What are the key properties of [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine?
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 102814695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).