2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid

C15H28N2O2 — CID 115103561

IUPAC2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCC(C)N1CCC(CC2(C(=O)O)CCCCN2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-9-5-13(6-10-17)11-15(14(18)19)7-3-4-8-16-15/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyGWJUBEYGKBZSDX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds4

About 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid

2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 115103561) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
PubChem CID115103561
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
SMILESCC(C)N1CCC(CC2(C(=O)O)CCCCN2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-9-5-13(6-10-17)11-15(14(18)19)7-3-4-8-16-15/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyGWJUBEYGKBZSDX-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103198
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
2-(cyclopropylmethyl)piperidine-2-carboxamide
CID 84658665
methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115103207
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974576
2-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 115103179
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103178
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid (CID 115103561) is 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid is CC(C)N1CCC(CC2(C(=O)O)CCCCN2)CC1.
What is the InChIKey of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is GWJUBEYGKBZSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)17-9-5-13(6-10-17)11-15(14(18)19)7-3-4-8-16-15/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid?
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 115103561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).