N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine

C18H33N3 — CID 57231845

IUPACN,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCCN(CC)CCCC1CCN(C2(CC)C=CC=N2)CC1
InChIInChI=1S/C18H33N3/c1-4-18(12-8-13-19-18)21-15-10-17(11-16-21)9-7-14-20(5-2)6-3/h8,12-13,17H,4-7,9-11,14-16H2,1-3H3
InChIKeyZGGBUAZPSIJOGR-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.57
Rot. Bonds8

About N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine

N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (PubChem CID 57231845) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
PubChem CID57231845
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCCN(CC)CCCC1CCN(C2(CC)C=CC=N2)CC1
InChIInChI=1S/C18H33N3/c1-4-18(12-8-13-19-18)21-15-10-17(11-16-21)9-7-14-20(5-2)6-3/h8,12-13,17H,4-7,9-11,14-16H2,1-3H3
InChIKeyZGGBUAZPSIJOGR-UHFFFAOYSA-N
XLogP3.57
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Diethyl-2-(3-ethylpiperidin-1-yl)indole
CID 163192617
N-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56978901
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997392
N-methyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997506
N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 56997952
N,N-diethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56998265
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylethanamine
CID 57000243
N-ethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57010683
N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57014066
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57029224
2-[1-(2-Ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57032140

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (CID 57231845) is N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is CCN(CC)CCCC1CCN(C2(CC)C=CC=N2)CC1.
What is the InChIKey of N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The InChIKey is ZGGBUAZPSIJOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-18(12-8-13-19-18)21-15-10-17(11-16-21)9-7-14-20(5-2)6-3/h8,12-13,17H,4-7,9-11,14-16H2,1-3H3.
What are the key properties of N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 57231845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).