4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine

C14H21N3 — CID 11287692

IUPAC4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
SMILESc1cc(N2CCCC2)cc(C[C@@H]2CCCN2)n1
InChIInChI=1S/C14H21N3/c1-2-9-17(8-1)14-5-7-16-13(11-14)10-12-4-3-6-15-12/h5,7,11-12,15H,1-4,6,8-10H2/t12-/m0/s1
InChIKeyYMMIOBGUVVBKIW-LBPRGKRZSA-N
MW231.34 g/mol
LogP1.98
Rot. Bonds3

About 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine

4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine (PubChem CID 11287692) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
PubChem CID11287692
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
SMILESc1cc(N2CCCC2)cc(C[C@@H]2CCCN2)n1
InChIInChI=1S/C14H21N3/c1-2-9-17(8-1)14-5-7-16-13(11-14)10-12-4-3-6-15-12/h5,7,11-12,15H,1-4,6,8-10H2/t12-/m0/s1
InChIKeyYMMIOBGUVVBKIW-LBPRGKRZSA-N
XLogP1.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-amine
CID 11593670
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117368692
(4-pyrrolidin-1-yl-2-pyridinyl)methanol
CID 61253003
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 66908167
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
4-pyrrolidin-1-yl-2-(4-pyrrolidin-1-yl-2-pyridinyl)pyridine
CID 11601769
3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 82595027
N-methyl-2-(4-piperidin-1-yl-2-pyridinyl)ethanamine
CID 83889053
N-[[4-(azocan-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62281231
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
4-piperidin-1-yl-N-piperidin-3-ylpyridin-2-amine
CID 176995897

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine?
The IUPAC name of 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine (CID 11287692) is 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine.
What is the SMILES notation for 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine?
The canonical SMILES for 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine is c1cc(N2CCCC2)cc(C[C@@H]2CCCN2)n1.
What is the InChIKey of 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine?
The InChIKey is YMMIOBGUVVBKIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-9-17(8-1)14-5-7-16-13(11-14)10-12-4-3-6-15-12/h5,7,11-12,15H,1-4,6,8-10H2/t12-/m0/s1.
What are the key properties of 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine?
4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine has a molecular weight of 231.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine is sourced from PubChem (CID 11287692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).