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

C20H37N3 — CID 57199660

IUPAC3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCC1CCN(C2(CC)C=CC=N2)CC1
InChIInChI=1S/C20H37N3/c1-4-14-22(15-5-2)16-7-9-19-10-17-23(18-11-19)20(6-3)12-8-13-21-20/h8,12-13,19H,4-7,9-11,14-18H2,1-3H3
InChIKeyQMNOOZXOJAHXCE-UHFFFAOYSA-N
MW319.54 g/mol
LogP4.35
Rot. Bonds10

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

3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine (PubChem CID 57199660) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
PubChem CID57199660
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCC1CCN(C2(CC)C=CC=N2)CC1
InChIInChI=1S/C20H37N3/c1-4-14-22(15-5-2)16-7-9-19-10-17-23(18-11-19)20(6-3)12-8-13-21-20/h8,12-13,19H,4-7,9-11,14-18H2,1-3H3
InChIKeyQMNOOZXOJAHXCE-UHFFFAOYSA-N
XLogP4.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.35
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 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine (CID 57199660) is 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCC1CCN(C2(CC)C=CC=N2)CC1.
What is the InChIKey of 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
The InChIKey is QMNOOZXOJAHXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3/c1-4-14-22(15-5-2)16-7-9-19-10-17-23(18-11-19)20(6-3)12-8-13-21-20/h8,12-13,19H,4-7,9-11,14-18H2,1-3H3.
What are the key properties of 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine?
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine has a molecular weight of 319.54 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 57199660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).