6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid

C22H27N3O2 — CID 118302022

IUPAC6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C22H27N3O2/c1-22(15-23-19-14-17(19)16-6-3-2-4-7-16)10-12-25(13-11-22)20-9-5-8-18(24-20)21(26)27/h2-9,17,19,23H,10-15H2,1H3,(H,26,27)/t17?,19-/m1/s1
InChIKeyZWETUSDZKRSKGG-WHCXFUJUSA-N
MW365.48 g/mol
LogP3.53
Rot. Bonds6

About 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 118302022) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID118302022
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C22H27N3O2/c1-22(15-23-19-14-17(19)16-6-3-2-4-7-16)10-12-25(13-11-22)20-9-5-8-18(24-20)21(26)27/h2-9,17,19,23H,10-15H2,1H3,(H,26,27)/t17?,19-/m1/s1
InChIKeyZWETUSDZKRSKGG-WHCXFUJUSA-N
XLogP3.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 118302022) is 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is CC1(CN[C@@H]2CC2c2ccccc2)CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZWETUSDZKRSKGG-WHCXFUJUSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(15-23-19-14-17(19)16-6-3-2-4-7-16)10-12-25(13-11-22)20-9-5-8-18(24-20)21(26)27/h2-9,17,19,23H,10-15H2,1H3,(H,26,27)/t17?,19-/m1/s1.
What are the key properties of 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 365.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118302022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).