3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine

C20H26N2 — CID 23381417

IUPAC3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine
SMILESCCCCC1CCN(C(c2ccccc2)c2cccnc2)C1
InChIInChI=1S/C20H26N2/c1-2-3-8-17-12-14-22(16-17)20(18-9-5-4-6-10-18)19-11-7-13-21-15-19/h4-7,9-11,13,15,17,20H,2-3,8,12,14,16H2,1H3
InChIKeyPNMSBRWJZVZMOR-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.68
Rot. Bonds6

About 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine

3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine (PubChem CID 23381417) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine.

Molecular Properties

Compound Name3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine
PubChem CID23381417
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine
SMILESCCCCC1CCN(C(c2ccccc2)c2cccnc2)C1
InChIInChI=1S/C20H26N2/c1-2-3-8-17-12-14-22(16-17)20(18-9-5-4-6-10-18)19-11-7-13-21-15-19/h4-7,9-11,13,15,17,20H,2-3,8,12,14,16H2,1H3
InChIKeyPNMSBRWJZVZMOR-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-butylpiperidin-1-yl)-phenylmethyl]pyridine
CID 22970094
1-benzhydryl-4-octylpiperidine;hydrobromide
CID 54609247
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
CID 112624351
2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797039
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
1-benzhydryl-3-ethylpiperidine
CID 22970041
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
methyl 1-benzhydryl-4-butylpiperidine-3-carboxylate
CID 23381501
benzyl 4-[(4-butylpiperidin-1-yl)-phenylmethyl]benzoate
CID 22970140
N-[4-(1-benzhydrylpiperidin-4-yl)butyl]-5-pyridin-3-ylpentanamide
CID 10195675
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine?
The IUPAC name of 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine (CID 23381417) is 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine.
What is the SMILES notation for 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine?
The canonical SMILES for 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine is CCCCC1CCN(C(c2ccccc2)c2cccnc2)C1.
What is the InChIKey of 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine?
The InChIKey is PNMSBRWJZVZMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-3-8-17-12-14-22(16-17)20(18-9-5-4-6-10-18)19-11-7-13-21-15-19/h4-7,9-11,13,15,17,20H,2-3,8,12,14,16H2,1H3.
What are the key properties of 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine?
3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine has a molecular weight of 294.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine is sourced from PubChem (CID 23381417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).