N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine

C18H23N3 — CID 79042917

IUPACN-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H23N3/c1-15-18(10-5-11-19-15)20-17-9-6-12-21(14-17)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17,20H,6,9,12-14H2,1H3
InChIKeyIOOHLCITXUNEJU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.47
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine

N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine (PubChem CID 79042917) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
PubChem CID79042917
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H23N3/c1-15-18(10-5-11-19-15)20-17-9-6-12-21(14-17)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17,20H,6,9,12-14H2,1H3
InChIKeyIOOHLCITXUNEJU-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 130167064
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
N-[(3S)-1-benzylpiperidin-3-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506855
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
CID 79041986
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylpyridin-3-amine
CID 130546436
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine (CID 79042917) is N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine is Cc1ncccc1NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine?
The InChIKey is IOOHLCITXUNEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15-18(10-5-11-19-15)20-17-9-6-12-21(14-17)13-16-7-3-2-4-8-16/h2-5,7-8,10-11,17,20H,6,9,12-14H2,1H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine?
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).