1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine

C17H28N4 — CID 99931796

IUPAC1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
SMILESCCc1ccc(CN2CC[C@@H](N3CCN(C)CC3)C2)nc1
InChIInChI=1S/C17H28N4/c1-3-15-4-5-16(18-12-15)13-20-7-6-17(14-20)21-10-8-19(2)9-11-21/h4-5,12,17H,3,6-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyROESBPAAMSFGEH-QGZVFWFLSA-N
MW288.44 g/mol
LogP1.47
Rot. Bonds4

About 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine

1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine (PubChem CID 99931796) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
PubChem CID99931796
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
SMILESCCc1ccc(CN2CC[C@@H](N3CCN(C)CC3)C2)nc1
InChIInChI=1S/C17H28N4/c1-3-15-4-5-16(18-12-15)13-20-7-6-17(14-20)21-10-8-19(2)9-11-21/h4-5,12,17H,3,6-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyROESBPAAMSFGEH-QGZVFWFLSA-N
XLogP1.47
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77085193
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
(1S,5R)-6-[(5-ethyl-2-pyridinyl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 77087204
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane
CID 77086588
1-[(5-ethyl-2-pyridinyl)methyl]-4-(2-methylsulfanylethyl)piperazine
CID 77096922
(3S)-1-[2-(4-ethylphenyl)ethyl]-3-(4-methylpiperazin-1-yl)azepane
CID 97059249

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine (CID 99931796) is 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine is CCc1ccc(CN2CC[C@@H](N3CCN(C)CC3)C2)nc1.
What is the InChIKey of 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
The InChIKey is ROESBPAAMSFGEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-15-4-5-16(18-12-15)13-20-7-6-17(14-20)21-10-8-19(2)9-11-21/h4-5,12,17H,3,6-11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine is sourced from PubChem (CID 99931796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).