1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine

C18H30N2O — CID 61170753

IUPAC1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
SMILESCCCOc1ccc(C(C)NC2CCCN(CC)C2)cc1
InChIInChI=1S/C18H30N2O/c1-4-13-21-18-10-8-16(9-11-18)15(3)19-17-7-6-12-20(5-2)14-17/h8-11,15,17,19H,4-7,12-14H2,1-3H3
InChIKeyMPQYGYBWBSCIDF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds7

About 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine

1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine (PubChem CID 61170753) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
PubChem CID61170753
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
SMILESCCCOc1ccc(C(C)NC2CCCN(CC)C2)cc1
InChIInChI=1S/C18H30N2O/c1-4-13-21-18-10-8-16(9-11-18)15(3)19-17-7-6-12-20(5-2)14-17/h8-11,15,17,19H,4-7,12-14H2,1-3H3
InChIKeyMPQYGYBWBSCIDF-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
CID 61171729
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
CID 61170168
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]cyclopentan-1-amine
CID 79861209
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
1-[1-(4-propoxyphenyl)ethyl]pyrrolidin-3-amine
CID 62068872

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine (CID 61170753) is 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine is CCCOc1ccc(C(C)NC2CCCN(CC)C2)cc1.
What is the InChIKey of 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine?
The InChIKey is MPQYGYBWBSCIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-13-21-18-10-8-16(9-11-18)15(3)19-17-7-6-12-20(5-2)14-17/h8-11,15,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine?
1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 61170753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).