N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine

C16H29N3 — CID 57063594

IUPACN,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine
SMILESCCN(CC)CCC1=CC(C)(N2CCCCC2)N=C1
InChIInChI=1S/C16H29N3/c1-4-18(5-2)12-9-15-13-16(3,17-14-15)19-10-7-6-8-11-19/h13-14H,4-12H2,1-3H3
InChIKeyRYTCRSWAPWIYHQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.93
Rot. Bonds6

About N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine

N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine (PubChem CID 57063594) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine
PubChem CID57063594
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine
SMILESCCN(CC)CCC1=CC(C)(N2CCCCC2)N=C1
InChIInChI=1S/C16H29N3/c1-4-18(5-2)12-9-15-13-16(3,17-14-15)19-10-7-6-8-11-19/h13-14H,4-12H2,1-3H3
InChIKeyRYTCRSWAPWIYHQ-UHFFFAOYSA-N
XLogP2.93
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 56997952
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57029224
N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57044203
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 57046378
N,N-diethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57070888
N,N-diethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57108719
N-[2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 57173343
N,N-diethyl-2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57210365
N-propyl-N-[2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethyl]propan-1-amine
CID 57255055
N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57301776
5-Methyl-2-piperidin-1-yl-2,3-dihydropyridine
CID 129215968
ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093197

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine (CID 57063594) is N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine is CCN(CC)CCC1=CC(C)(N2CCCCC2)N=C1.
What is the InChIKey of N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine?
The InChIKey is RYTCRSWAPWIYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-18(5-2)12-9-15-13-16(3,17-14-15)19-10-7-6-8-11-19/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine?
N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methyl-5-piperidin-1-ylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 57063594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).