4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid

C16H23N3O2 — CID 63885544

IUPAC4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(N3CCCCC3)C2)ccn1
InChIInChI=1S/C16H23N3O2/c20-16(21)15-10-13(4-6-17-15)11-18-9-5-14(12-18)19-7-2-1-3-8-19/h4,6,10,14H,1-3,5,7-9,11-12H2,(H,20,21)
InChIKeyVXLSUTBNWXWIBR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds4

About 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid

4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63885544) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63885544
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(N3CCCCC3)C2)ccn1
InChIInChI=1S/C16H23N3O2/c20-16(21)15-10-13(4-6-17-15)11-18-9-5-14(12-18)19-7-2-1-3-8-19/h4,6,10,14H,1-3,5,7-9,11-12H2,(H,20,21)
InChIKeyVXLSUTBNWXWIBR-UHFFFAOYSA-N
XLogP1.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882044
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63887071
2-fluoro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 107880814
4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883219
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882045
2-[(2-chloro-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78945351
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
CID 63883208
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170613
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178

Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 63885544) is 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cc(CN2CCC(N3CCCCC3)C2)ccn1.
What is the InChIKey of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is VXLSUTBNWXWIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(21)15-10-13(4-6-17-15)11-18-9-5-14(12-18)19-7-2-1-3-8-19/h4,6,10,14H,1-3,5,7-9,11-12H2,(H,20,21).
What are the key properties of 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63885544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).