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

C17H31N3 — CID 57070888

IUPACN,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCCN(CC)CCCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C17H31N3/c1-4-19(5-2)13-6-8-16-9-14-20(15-10-16)17(3)11-7-12-18-17/h7,11-12,16H,4-6,8-10,13-15H2,1-3H3
InChIKeyJKTQRAPZISJWCB-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.18
Rot. Bonds7

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

N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (PubChem CID 57070888) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
PubChem CID57070888
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
SMILESCCN(CC)CCCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C17H31N3/c1-4-19(5-2)13-6-8-16-9-14-20(15-10-16)17(3)11-7-12-18-17/h7,11-12,16H,4-6,8-10,13-15H2,1-3H3
InChIKeyJKTQRAPZISJWCB-UHFFFAOYSA-N
XLogP3.18
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.18
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-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine (CID 57070888) is N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is CCN(CC)CCCC1CCN(C2(C)C=CC=N2)CC1.
What is the InChIKey of N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
The InChIKey is JKTQRAPZISJWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-19(5-2)13-6-8-16-9-14-20(15-10-16)17(3)11-7-12-18-17/h7,11-12,16H,4-6,8-10,13-15H2,1-3H3.
What are the key properties of N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine?
N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.18, 7 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-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 57070888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).