4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid

C14H25NO3 — CID 114426342

IUPAC4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid
SMILESCC1CCN(CCCC2CCCO2)C(C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-11-6-8-15(13(10-11)14(16)17)7-2-4-12-5-3-9-18-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyKXKNIZKIGUDKLB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds5

About 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid

4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid (PubChem CID 114426342) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid
PubChem CID114426342
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid
SMILESCC1CCN(CCCC2CCCO2)C(C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-11-6-8-15(13(10-11)14(16)17)7-2-4-12-5-3-9-18-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyKXKNIZKIGUDKLB-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
CID 114421923
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-but-3-ynyl-4-methylpiperidine-2-carboxylic acid
CID 114426543
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 102785673
1-[3-(dimethylamino)-3-oxopropyl]-4-methylpiperidine-2-carboxylic acid
CID 114426324
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
1-(cyanomethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426250
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid (CID 114426342) is 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid is CC1CCN(CCCC2CCCO2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid?
The InChIKey is KXKNIZKIGUDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-6-8-15(13(10-11)14(16)17)7-2-4-12-5-3-9-18-12/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid?
4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114426342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).