4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine

C18H29N3 — CID 102542989

IUPAC4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine
SMILESCc1cc(N2CCCC2)ncc1C1CCCCN1C(C)C
InChIInChI=1S/C18H29N3/c1-14(2)21-11-5-4-8-17(21)16-13-19-18(12-15(16)3)20-9-6-7-10-20/h12-14,17H,4-11H2,1-3H3
InChIKeyZOEBPJDOMHNBPW-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.93
Rot. Bonds3

About 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine

4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine (PubChem CID 102542989) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine
PubChem CID102542989
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine
SMILESCc1cc(N2CCCC2)ncc1C1CCCCN1C(C)C
InChIInChI=1S/C18H29N3/c1-14(2)21-11-5-4-8-17(21)16-13-19-18(12-15(16)3)20-9-6-7-10-20/h12-14,17H,4-11H2,1-3H3
InChIKeyZOEBPJDOMHNBPW-UHFFFAOYSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542463
5-(1-ethylpiperidin-2-yl)-4-methyl-2-piperidin-1-ylpyridine
CID 102543179
5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
2-chloro-3-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542433
2-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-6-pyrrolidin-1-ylpyridine
CID 102543010
5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542973
4-[4-methyl-5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]morpholine
CID 102543259
benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
CID 124501941
(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
CID 124501966
4-[5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyridinyl]morpholine
CID 102543280
4-[6-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-2-pyridinyl]morpholine
CID 124500255

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine (CID 102542989) is 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine is Cc1cc(N2CCCC2)ncc1C1CCCCN1C(C)C.
What is the InChIKey of 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine?
The InChIKey is ZOEBPJDOMHNBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)21-11-5-4-8-17(21)16-13-19-18(12-15(16)3)20-9-6-7-10-20/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine?
4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine has a molecular weight of 287.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 102542989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).