4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine

C10H16N2 — CID 123308221

IUPAC4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
SMILESC1=CC(CN2CCCC2)CC=N1
InChIInChI=1S/C10H16N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h3,5-6,10H,1-2,4,7-9H2
InChIKeyBVCZYIDJEVLLGZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.69
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine

4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine (PubChem CID 123308221) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
PubChem CID123308221
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
SMILESC1=CC(CN2CCCC2)CC=N1
InChIInChI=1S/C10H16N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h3,5-6,10H,1-2,4,7-9H2
InChIKeyBVCZYIDJEVLLGZ-UHFFFAOYSA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydropyridin-4-yl)-N,N-dimethylmethanamine
CID 123177997
1,3-dimethylpyrrolidine;ethane;3H-pyrrole
CID 123771053
N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine
CID 143866626
1-(3,4-dihydropyridin-3-yl)-N,N-dimethylmethanamine
CID 144179468
Ethane;3-[(2-methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
CID 153386930
1-(3-methylbutyl)-3H-pyrrol-1-ium
CID 158658965
N-ethyl-2-methyl-N-(2-methylpropyl)propan-1-amine;3H-pyrrole
CID 178176198
3-[(2-Methylpyrrolidin-1-yl)methyl]-3,4-dihydropyridine
CID 153386931

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine (CID 123308221) is 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine is C1=CC(CN2CCCC2)CC=N1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
The InChIKey is BVCZYIDJEVLLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h3,5-6,10H,1-2,4,7-9H2.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine?
4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)-3,4-dihydropyridine is sourced from PubChem (CID 123308221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).