N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine

C16H26N2O — CID 60657865

IUPACN-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
SMILESCCOc1ccc(CNC2CCN(CC)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-18-11-9-15(10-12-18)17-13-14-5-7-16(8-6-14)19-4-2/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyDGOSGAMUQSUBCG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine

N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine (PubChem CID 60657865) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
PubChem CID60657865
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
SMILESCCOc1ccc(CNC2CCN(CC)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-18-11-9-15(10-12-18)17-13-14-5-7-16(8-6-14)19-4-2/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyDGOSGAMUQSUBCG-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
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CID 54950112
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
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CID 103784727

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine (CID 60657865) is N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine is CCOc1ccc(CNC2CCN(CC)CC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine?
The InChIKey is DGOSGAMUQSUBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18-11-9-15(10-12-18)17-13-14-5-7-16(8-6-14)19-4-2/h5-8,15,17H,3-4,9-13H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine?
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 60657865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).