N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine

C18H30N2O — CID 61219586

IUPACN-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCC(OCC)CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-15(3)17-8-6-7-9-18(17)20-13-10-16(11-14-20)21-5-2/h6-9,15-16,19H,4-5,10-14H2,1-3H3
InChIKeyKFDUWPUBCMFPGU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.75
Rot. Bonds7

About N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 61219586) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID61219586
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCC(OCC)CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-15(3)17-8-6-7-9-18(17)20-13-10-16(11-14-20)21-5-2/h6-9,15-16,19H,4-5,10-14H2,1-3H3
InChIKeyKFDUWPUBCMFPGU-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
1-[2-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115994916
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005
N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
N-[1-[2-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562783
N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
CID 106314747
1-(2-propan-2-ylphenyl)-N-propylpiperidin-4-amine
CID 43315030
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
CID 61441210
N-[1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 103534460
N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
CID 63409223
3-[2-[1-(propylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60792685

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine (CID 61219586) is N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1N1CCC(OCC)CC1.
What is the InChIKey of N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is KFDUWPUBCMFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-15(3)17-8-6-7-9-18(17)20-13-10-16(11-14-20)21-5-2/h6-9,15-16,19H,4-5,10-14H2,1-3H3.
What are the key properties of N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 61219586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).