[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine

C16H26N4 — CID 81247429

IUPAC[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCC(N3CCCCC3)C2)c(CN)cn1
InChIInChI=1S/C16H26N4/c1-13-9-16(14(10-17)11-18-13)20-8-5-15(12-20)19-6-3-2-4-7-19/h9,11,15H,2-8,10,12,17H2,1H3
InChIKeySCKJYGMPHQYLQP-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.91
Rot. Bonds3

About [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine

[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81247429) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
PubChem CID81247429
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCc1cc(N2CCC(N3CCCCC3)C2)c(CN)cn1
InChIInChI=1S/C16H26N4/c1-13-9-16(14(10-17)11-18-13)20-8-5-15(12-20)19-6-3-2-4-7-19/h9,11,15H,2-8,10,12,17H2,1H3
InChIKeySCKJYGMPHQYLQP-UHFFFAOYSA-N
XLogP1.91
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Pyridyl)piperazine
CID 70517
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
5-(1-Methyl-pyrrolidin-2-yl)-2-phenethyl-pyridine
CID 11644688
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
rac-N1-(1-(4-Methylpyridin-2-yl)ethyl)-N1-(3-methylpyridin-2-yl)methyl)butane-1,4-diamine
CID 53324136
1-Ethyl-4-(pyridin-3-ylmethyl)piperazine
CID 763449
N-(2-Pyridylmethyl)piperazine-1-ethylamine
CID 81406
Piperazine, 1-(3-amino-4-pyridyl)-4-methyl-
CID 203473
(1R,5R)-3-(5,6-dimethyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 23634543
2,5-Bis(pyrrolidin-1-ylmethyl)pyridine
CID 127044984
2,5-Bis(piperidin-1-ylmethyl)pyridine
CID 127044985
N-methyl-N-(2-pyridylmethyl)-1-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methanamine
CID 483560

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (CID 81247429) is [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is Cc1cc(N2CCC(N3CCCCC3)C2)c(CN)cn1.
What is the InChIKey of [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is SCKJYGMPHQYLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-9-16(14(10-17)11-18-13)20-8-5-15(12-20)19-6-3-2-4-7-19/h9,11,15H,2-8,10,12,17H2,1H3.
What are the key properties of [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
[6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81247429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).