1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine

C15H24N2O — CID 68821598

IUPAC1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
SMILESCCOc1cc(CN2CCC(N)CC2)ccc1C
InChIInChI=1S/C15H24N2O/c1-3-18-15-10-13(5-4-12(15)2)11-17-8-6-14(16)7-9-17/h4-5,10,14H,3,6-9,11,16H2,1-2H3
InChIKeyVMPLCVHLWYADGR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds4

About 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine

1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine (PubChem CID 68821598) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
PubChem CID68821598
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
SMILESCCOc1cc(CN2CCC(N)CC2)ccc1C
InChIInChI=1S/C15H24N2O/c1-3-18-15-10-13(5-4-12(15)2)11-17-8-6-14(16)7-9-17/h4-5,10,14H,3,6-9,11,16H2,1-2H3
InChIKeyVMPLCVHLWYADGR-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214
4-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-3-phenyl-5H-1,2,4-oxadiazol-5-amine
CID 68720625
(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401908
1-[[4-(2-methylphenoxy)phenyl]methyl]piperidin-4-amine
CID 39288925
2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide
CID 67398804
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine (CID 68821598) is 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine is CCOc1cc(CN2CCC(N)CC2)ccc1C.
What is the InChIKey of 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is VMPLCVHLWYADGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-10-13(5-4-12(15)2)11-17-8-6-14(16)7-9-17/h4-5,10,14H,3,6-9,11,16H2,1-2H3.
What are the key properties of 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine?
1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 68821598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).