[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine

C15H24N2O — CID 117052607

IUPAC[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
SMILESCC(Oc1ccc(CN)cc1)C1CCCCN1C
InChIInChI=1S/C15H24N2O/c1-12(15-5-3-4-10-17(15)2)18-14-8-6-13(11-16)7-9-14/h6-9,12,15H,3-5,10-11,16H2,1-2H3
InChIKeyXSHSPDQWUVWQKC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds4

About [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine

[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine (PubChem CID 117052607) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
PubChem CID117052607
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
SMILESCC(Oc1ccc(CN)cc1)C1CCCCN1C
InChIInChI=1S/C15H24N2O/c1-12(15-5-3-4-10-17(15)2)18-14-8-6-13(11-16)7-9-14/h6-9,12,15H,3-5,10-11,16H2,1-2H3
InChIKeyXSHSPDQWUVWQKC-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol
CID 117095443
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
[4-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethoxy]phenyl]methanamine
CID 62458293
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
3-amino-4-[1-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 117095889
2-(4-fluorophenyl)-1-[[4-[1-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 23440905
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
2-(3-butoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70563834
2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine
CID 117095330
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine (CID 117052607) is [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine is CC(Oc1ccc(CN)cc1)C1CCCCN1C.
What is the InChIKey of [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is XSHSPDQWUVWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(15-5-3-4-10-17(15)2)18-14-8-6-13(11-16)7-9-14/h6-9,12,15H,3-5,10-11,16H2,1-2H3.
What are the key properties of [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine?
[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 117052607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).