3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid

C14H25NO3 — CID 65062149

IUPAC3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
SMILESCC1CC(N2CCC(CCC(=O)O)CC2)CCO1
InChIInChI=1S/C14H25NO3/c1-11-10-13(6-9-18-11)15-7-4-12(5-8-15)2-3-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyLHNHCFHFZINPNA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds4

About 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid

3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 65062149) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
PubChem CID65062149
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
SMILESCC1CC(N2CCC(CCC(=O)O)CC2)CCO1
InChIInChI=1S/C14H25NO3/c1-11-10-13(6-9-18-11)15-7-4-12(5-8-15)2-3-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyLHNHCFHFZINPNA-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 114240730
3-[1-(4-propylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062636
3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062495
4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
CID 65064613
1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 65072032
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979
3-[(3S)-1-[(2R,4S)-2-methyloxane-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129468511
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552664
3-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]propanoic acid
CID 55049085
3-[1-(2-tert-butylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062639
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid (CID 65062149) is 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid is CC1CC(N2CCC(CCC(=O)O)CC2)CCO1.
What is the InChIKey of 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is LHNHCFHFZINPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-10-13(6-9-18-11)15-7-4-12(5-8-15)2-3-14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).