4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine

C16H26N2O — CID 82122007

IUPAC4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCCc1cc(CC2(N)CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-14-11-13(5-6-15(14)19-3)12-16(17)7-9-18(2)10-8-16/h5-6,11H,4,7-10,12,17H2,1-3H3
InChIKeyGJGWCYRUJOQJTD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds4

About 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine

4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 82122007) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID82122007
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCCc1cc(CC2(N)CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-4-14-11-13(5-6-15(14)19-3)12-16(17)7-9-18(2)10-8-16/h5-6,11H,4,7-10,12,17H2,1-3H3
InChIKeyGJGWCYRUJOQJTD-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
[4-(3-ethyl-4-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82091322
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 95468648
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine (CID 82122007) is 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine is CCc1cc(CC2(N)CCN(C)CC2)ccc1OC.
What is the InChIKey of 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is GJGWCYRUJOQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14-11-13(5-6-15(14)19-3)12-16(17)7-9-18(2)10-8-16/h5-6,11H,4,7-10,12,17H2,1-3H3.
What are the key properties of 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 82122007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).