N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine

C13H20N2O — CID 117314747

IUPACN-methoxy-1-(2-piperidin-4-ylphenyl)methanamine
SMILESCONCc1ccccc1C1CCNCC1
InChIInChI=1S/C13H20N2O/c1-16-15-10-12-4-2-3-5-13(12)11-6-8-14-9-7-11/h2-5,11,14-15H,6-10H2,1H3
InChIKeyINZYNFVKFHYTEA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds4

About N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine

N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine (PubChem CID 117314747) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-piperidin-4-ylphenyl)methanamine
PubChem CID117314747
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methoxy-1-(2-piperidin-4-ylphenyl)methanamine
SMILESCONCc1ccccc1C1CCNCC1
InChIInChI=1S/C13H20N2O/c1-16-15-10-12-4-2-3-5-13(12)11-6-8-14-9-7-11/h2-5,11,14-15H,6-10H2,1H3
InChIKeyINZYNFVKFHYTEA-UHFFFAOYSA-N
XLogP1.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine
CID 117441204
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
O-[2-(2-piperidin-4-ylphenyl)ethyl]hydroxylamine
CID 117314763
4-(2-methoxyphenyl)piperidine
CID 544738
2-(2-piperidin-4-ylphenyl)acetonitrile
CID 117289499
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
3-(2-piperidin-4-ylphenyl)propanenitrile;hydrochloride
CID 67111986
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
CID 117355562
4-[2-(2-methoxyethoxy)phenyl]piperidine;hydrochloride
CID 163359265
methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine?
The IUPAC name of N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine (CID 117314747) is N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine?
The canonical SMILES for N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine is CONCc1ccccc1C1CCNCC1.
What is the InChIKey of N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine?
The InChIKey is INZYNFVKFHYTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-15-10-12-4-2-3-5-13(12)11-6-8-14-9-7-11/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine?
N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine is sourced from PubChem (CID 117314747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).