3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine

C18H29N3 — CID 2911232

IUPAC3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
SMILESCC1CC(C)CN(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C18H29N3/c1-15-10-16(2)13-21(12-15)18-5-8-20(9-6-18)14-17-4-3-7-19-11-17/h3-4,7,11,15-16,18H,5-6,8-10,12-14H2,1-2H3
InChIKeyWSHXXAJVMARHCF-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.02
Rot. Bonds3

About 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine

3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 2911232) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
PubChem CID2911232
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
SMILESCC1CC(C)CN(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C18H29N3/c1-15-10-16(2)13-21(12-15)18-5-8-20(9-6-18)14-17-4-3-7-19-11-17/h3-4,7,11,15-16,18H,5-6,8-10,12-14H2,1-2H3
InChIKeyWSHXXAJVMARHCF-UHFFFAOYSA-N
XLogP3.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
CID 828666
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine
CID 91831212
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
4-ethyl-2-methyl-5-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,2,4-triazol-3-one
CID 95201879

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine (CID 2911232) is 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine is CC1CC(C)CN(C2CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is WSHXXAJVMARHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-10-16(2)13-21(12-15)18-5-8-20(9-6-18)14-17-4-3-7-19-11-17/h3-4,7,11,15-16,18H,5-6,8-10,12-14H2,1-2H3.
What are the key properties of 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine?
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 287.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 2911232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).