3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine

C17H27N3 — CID 120903790

IUPAC3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
SMILESCC1(CN2CCC(Cc3cccnc3)CC2)CCNC1
InChIInChI=1S/C17H27N3/c1-17(6-8-19-13-17)14-20-9-4-15(5-10-20)11-16-3-2-7-18-12-16/h2-3,7,12,15,19H,4-6,8-11,13-14H2,1H3
InChIKeyNLRMMHSWCWUUQR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.34
Rot. Bonds4

About 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine

3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine (PubChem CID 120903790) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
PubChem CID120903790
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
SMILESCC1(CN2CCC(Cc3cccnc3)CC2)CCNC1
InChIInChI=1S/C17H27N3/c1-17(6-8-19-13-17)14-20-9-4-15(5-10-20)11-16-3-2-7-18-12-16/h2-3,7,12,15,19H,4-6,8-11,13-14H2,1H3
InChIKeyNLRMMHSWCWUUQR-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine with MolForge

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900211
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120897745
3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
CID 64943019
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine?
The IUPAC name of 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine (CID 120903790) is 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine is CC1(CN2CCC(Cc3cccnc3)CC2)CCNC1.
What is the InChIKey of 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine?
The InChIKey is NLRMMHSWCWUUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(6-8-19-13-17)14-20-9-4-15(5-10-20)11-16-3-2-7-18-12-16/h2-3,7,12,15,19H,4-6,8-11,13-14H2,1H3.
What are the key properties of 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine?
3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine has a molecular weight of 273.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine is sourced from PubChem (CID 120903790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).