1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine

C17H28N2O — CID 120838238

IUPAC1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCCc1cc(OC)ccc1CN1CCC(C(C)N)CC1
InChIInChI=1S/C17H28N2O/c1-4-14-11-17(20-3)6-5-16(14)12-19-9-7-15(8-10-19)13(2)18/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3
InChIKeyQAUUKRRFLHHCDX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 120838238) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID120838238
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCCc1cc(OC)ccc1CN1CCC(C(C)N)CC1
InChIInChI=1S/C17H28N2O/c1-4-14-11-17(20-3)6-5-16(14)12-19-9-7-15(8-10-19)13(2)18/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3
InChIKeyQAUUKRRFLHHCDX-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847195
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
CID 120841681
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111824353
(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 120845894
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 120840123
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 82891992

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine (CID 120838238) is 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine is CCc1cc(OC)ccc1CN1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is QAUUKRRFLHHCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-14-11-17(20-3)6-5-16(14)12-19-9-7-15(8-10-19)13(2)18/h5-6,11,13,15H,4,7-10,12,18H2,1-3H3.
What are the key properties of 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 120838238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).