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

C22H27N3O2 — CID 118302023

IUPAC4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(c2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-22(15-24-19-14-18(19)16-5-3-2-4-6-16)8-11-25(12-9-22)17-7-10-23-20(13-17)21(26)27/h2-7,10,13,18-19,24H,8-9,11-12,14-15H2,1H3,(H,26,27)/t18?,19-/m1/s1
InChIKeyUQGMGLASRIHDTI-MUMRKEEXSA-N
MW365.48 g/mol
LogP3.53
Rot. Bonds6

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

4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 118302023) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID118302023
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC1(CN[C@@H]2CC2c2ccccc2)CCN(c2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-22(15-24-19-14-18(19)16-5-3-2-4-6-16)8-11-25(12-9-22)17-7-10-23-20(13-17)21(26)27/h2-7,10,13,18-19,24H,8-9,11-12,14-15H2,1H3,(H,26,27)/t18?,19-/m1/s1
InChIKeyUQGMGLASRIHDTI-MUMRKEEXSA-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 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 118302023) is 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is CC1(CN[C@@H]2CC2c2ccccc2)CCN(c2ccnc(C(=O)O)c2)CC1.
What is the InChIKey of 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is UQGMGLASRIHDTI-MUMRKEEXSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(15-24-19-14-18(19)16-5-3-2-4-6-16)8-11-25(12-9-22)17-7-10-23-20(13-17)21(26)27/h2-7,10,13,18-19,24H,8-9,11-12,14-15H2,1H3,(H,26,27)/t18?,19-/m1/s1.
What are the key properties of 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
4-[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 4-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118302023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).