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

C16H26N4 — CID 81247363

IUPACN-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H26N4/c1-17-11-14-12-18-7-5-16(14)20-10-6-15(13-20)19-8-3-2-4-9-19/h5,7,12,15,17H,2-4,6,8-11,13H2,1H3
InChIKeyHNZTWFSAWPGIII-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.87
Rot. Bonds4

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

N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81247363) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
PubChem CID81247363
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H26N4/c1-17-11-14-12-18-7-5-16(14)20-10-6-15(13-20)19-8-3-2-4-9-19/h5,7,12,15,17H,2-4,6,8-11,13H2,1H3
InChIKeyHNZTWFSAWPGIII-UHFFFAOYSA-N
XLogP1.87
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
1-[4-(4-tert-butylazepan-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81247515
1-[4-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81249384
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
1-[4-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 130643019
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 166600645
N-methyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 81250152
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81246932

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine (CID 81247363) is N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is CNCc1cnccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is HNZTWFSAWPGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-11-14-12-18-7-5-16(14)20-10-6-15(13-20)19-8-3-2-4-9-19/h5,7,12,15,17H,2-4,6,8-11,13H2,1H3.
What are the key properties of N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine?
N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81247363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).