4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine

C14H22N2 — CID 157238992

IUPAC4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
SMILESCC(C)(C)c1ccnc(CC2CCNC2)c1
InChIInChI=1S/C14H22N2/c1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyYOKHCUJALFPSEB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.53
Rot. Bonds2

About 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine

4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine (PubChem CID 157238992) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
PubChem CID157238992
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
SMILESCC(C)(C)c1ccnc(CC2CCNC2)c1
InChIInChI=1S/C14H22N2/c1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyYOKHCUJALFPSEB-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
CID 115009336
2-propan-2-yl-4-(pyrrolidin-3-ylmethyl)pyrimidine
CID 83857559
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 124641296
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
CID 175662072
4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
CID 110101288

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
The IUPAC name of 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine (CID 157238992) is 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine is CC(C)(C)c1ccnc(CC2CCNC2)c1.
What is the InChIKey of 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
The InChIKey is YOKHCUJALFPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)12-5-7-16-13(9-12)8-11-4-6-15-10-11/h5,7,9,11,15H,4,6,8,10H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine?
4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine has a molecular weight of 218.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine is sourced from PubChem (CID 157238992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).