N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine

C16H24N2O2 — CID 61171729

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC(C)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H24N2O2/c1-3-18-8-4-5-14(10-18)17-12(2)13-6-7-15-16(9-13)20-11-19-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyFHFRVVDBVXMGMX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.55
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine (PubChem CID 61171729) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
PubChem CID61171729
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC(C)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H24N2O2/c1-3-18-8-4-5-14(10-18)17-12(2)13-6-7-15-16(9-13)20-11-19-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyFHFRVVDBVXMGMX-UHFFFAOYSA-N
XLogP2.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 84588722
1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
CID 61170753
1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024
N-(1,3-benzodioxol-5-yl)-1-ethylazepan-4-amine
CID 65072696
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
CID 61170168
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine (CID 61171729) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NC(C)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine?
The InChIKey is FHFRVVDBVXMGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18-8-4-5-14(10-18)17-12(2)13-6-7-15-16(9-13)20-11-19-15/h6-7,9,12,14,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 61171729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).