4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine

C13H20N2 — CID 139296538

IUPAC4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine
SMILESCCC(C[C@H]1CCNC1)c1ccncc1
InChIInChI=1S/C13H20N2/c1-2-12(9-11-3-6-15-10-11)13-4-7-14-8-5-13/h4-5,7-8,11-12,15H,2-3,6,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyWRPUTLWGKVELGK-JHJMLUEUSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds4

About 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine

4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine (PubChem CID 139296538) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine
PubChem CID139296538
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine
SMILESCCC(C[C@H]1CCNC1)c1ccncc1
InChIInChI=1S/C13H20N2/c1-2-12(9-11-3-6-15-10-11)13-4-7-14-8-5-13/h4-5,7-8,11-12,15H,2-3,6,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyWRPUTLWGKVELGK-JHJMLUEUSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
3-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907317
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
4-(2-methyl-1-pyrrolidin-3-ylpropyl)pyridine
CID 83908704
3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593
4-(1-chlorobutan-2-yl)pyridine
CID 141093425
N,N-diethyl-1-pyrrolidin-3-ylpropan-2-amine
CID 105441385
4-(pyrrolidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637133

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine?
The IUPAC name of 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine (CID 139296538) is 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine.
What is the SMILES notation for 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine?
The canonical SMILES for 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine is CCC(C[C@H]1CCNC1)c1ccncc1.
What is the InChIKey of 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine?
The InChIKey is WRPUTLWGKVELGK-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-12(9-11-3-6-15-10-11)13-4-7-14-8-5-13/h4-5,7-8,11-12,15H,2-3,6,9-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine?
4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3S)-pyrrolidin-3-yl]butan-2-yl]pyridine is sourced from PubChem (CID 139296538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).