2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine

C22H37N3 — CID 143579604

IUPAC2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCCCC1(CCC)CCN(c2ccc(CN3CCCC3C)cn2)CC1
InChIInChI=1S/C22H37N3/c1-4-10-22(11-5-2)12-15-24(16-13-22)21-9-8-20(17-23-21)18-25-14-6-7-19(25)3/h8-9,17,19H,4-7,10-16,18H2,1-3H3
InChIKeyCFALOUIUJPMEQY-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.25
Rot. Bonds7

About 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine

2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 143579604) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine
PubChem CID143579604
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine
SMILESCCCC1(CCC)CCN(c2ccc(CN3CCCC3C)cn2)CC1
InChIInChI=1S/C22H37N3/c1-4-10-22(11-5-2)12-15-24(16-13-22)21-9-8-20(17-23-21)18-25-14-6-7-19(25)3/h8-9,17,19H,4-7,10-16,18H2,1-3H3
InChIKeyCFALOUIUJPMEQY-UHFFFAOYSA-N
XLogP5.25
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine (CID 143579604) is 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine is CCCC1(CCC)CCN(c2ccc(CN3CCCC3C)cn2)CC1.
What is the InChIKey of 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is CFALOUIUJPMEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-4-10-22(11-5-2)12-15-24(16-13-22)21-9-8-20(17-23-21)18-25-14-6-7-19(25)3/h8-9,17,19H,4-7,10-16,18H2,1-3H3.
What are the key properties of 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine?
2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 343.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dipropylpiperidin-1-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 143579604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).