3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine

C19H31N3 — CID 102543140

IUPAC3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine
SMILESCc1cc(C2CCCN2CC(C)C)cnc1N1CCCCC1
InChIInChI=1S/C19H31N3/c1-15(2)14-22-11-7-8-18(22)17-12-16(3)19(20-13-17)21-9-5-4-6-10-21/h12-13,15,18H,4-11,14H2,1-3H3
InChIKeyVXJZUISPKOQRPL-UHFFFAOYSA-N
MW301.48 g/mol
LogP4.17
Rot. Bonds4

About 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine

3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine (PubChem CID 102543140) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine
PubChem CID102543140
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine
SMILESCc1cc(C2CCCN2CC(C)C)cnc1N1CCCCC1
InChIInChI=1S/C19H31N3/c1-15(2)14-22-11-7-8-18(22)17-12-16(3)19(20-13-17)21-9-5-4-6-10-21/h12-13,15,18H,4-11,14H2,1-3H3
InChIKeyVXJZUISPKOQRPL-UHFFFAOYSA-N
XLogP4.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine?
The IUPAC name of 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine (CID 102543140) is 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine.
What is the SMILES notation for 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine?
The canonical SMILES for 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine is Cc1cc(C2CCCN2CC(C)C)cnc1N1CCCCC1.
What is the InChIKey of 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine?
The InChIKey is VXJZUISPKOQRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-15(2)14-22-11-7-8-18(22)17-12-16(3)19(20-13-17)21-9-5-4-6-10-21/h12-13,15,18H,4-11,14H2,1-3H3.
What are the key properties of 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine?
3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine has a molecular weight of 301.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine is sourced from PubChem (CID 102543140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).