1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine

C16H26N2O — CID 95468648

IUPAC1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCCc1cc(CCN2CCC(N)CC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-3-14-12-13(4-5-16(14)19-2)6-9-18-10-7-15(17)8-11-18/h4-5,12,15H,3,6-11,17H2,1-2H3
InChIKeyHBWKUSWYTAVYIU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine

1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine (PubChem CID 95468648) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
PubChem CID95468648
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCCc1cc(CCN2CCC(N)CC2)ccc1OC
InChIInChI=1S/C16H26N2O/c1-3-14-12-13(4-5-16(14)19-2)6-9-18-10-7-15(17)8-11-18/h4-5,12,15H,3,6-11,17H2,1-2H3
InChIKeyHBWKUSWYTAVYIU-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 94692340
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-amine
CID 82483751
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine
CID 68687798
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
CID 72735441
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
2-(4-aminopiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119908061
4-[(3-ethyl-4-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 82122007

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine (CID 95468648) is 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine is CCc1cc(CCN2CCC(N)CC2)ccc1OC.
What is the InChIKey of 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine?
The InChIKey is HBWKUSWYTAVYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14-12-13(4-5-16(14)19-2)6-9-18-10-7-15(17)8-11-18/h4-5,12,15H,3,6-11,17H2,1-2H3.
What are the key properties of 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine?
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 95468648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).