2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid

C14H25NO3 — CID 65060205

IUPAC2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
SMILESCC1(C)CC(N2CCCC(CC(=O)O)C2)CCO1
InChIInChI=1S/C14H25NO3/c1-14(2)9-12(5-7-18-14)15-6-3-4-11(10-15)8-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHOOKNFSRHIGPII-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds3

About 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid

2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid (PubChem CID 65060205) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
PubChem CID65060205
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
SMILESCC1(C)CC(N2CCCC(CC(=O)O)C2)CCO1
InChIInChI=1S/C14H25NO3/c1-14(2)9-12(5-7-18-14)15-6-3-4-11(10-15)8-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHOOKNFSRHIGPII-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
2-[1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067859
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
N-[[1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 83028563
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
2-[1-(thiolan-3-yl)piperidin-3-yl]acetic acid
CID 65060102
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-3-yl]acetic acid
CID 65059993
tert-butyl-[(3S)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]carbamic acid
CID 67169940
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid (CID 65060205) is 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid is CC1(C)CC(N2CCCC(CC(=O)O)C2)CCO1.
What is the InChIKey of 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is HOOKNFSRHIGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2)9-12(5-7-18-14)15-6-3-4-11(10-15)8-13(16)17/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid?
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 65060205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).