4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid

C18H27N3O2 — CID 139997822

IUPAC4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(N2CCC(Nc3ccccc3)CC2)CCN(C(=O)O)CC1
InChIInChI=1S/C18H27N3O2/c1-18(9-13-20(14-10-18)17(22)23)21-11-7-16(8-12-21)19-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,22,23)
InChIKeyCFMIRCOJIJCHSK-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.10
Rot. Bonds3

About 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid

4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid (PubChem CID 139997822) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid
PubChem CID139997822
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(N2CCC(Nc3ccccc3)CC2)CCN(C(=O)O)CC1
InChIInChI=1S/C18H27N3O2/c1-18(9-13-20(14-10-18)17(22)23)21-11-7-16(8-12-21)19-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,22,23)
InChIKeyCFMIRCOJIJCHSK-UHFFFAOYSA-N
XLogP3.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-amino-5-fluoroanilino)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylic acid
CID 68632317
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 68631599
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462
2-amino-1-(4-anilinopiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77309770
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-(4-anilinopiperidin-1-yl)benzamide
CID 175169072
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid (CID 139997822) is 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid is CC1(N2CCC(Nc3ccccc3)CC2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid?
The InChIKey is CFMIRCOJIJCHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(9-13-20(14-10-18)17(22)23)21-11-7-16(8-12-21)19-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,22,23).
What are the key properties of 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid?
4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinopiperidin-1-yl)-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 139997822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).