2-methyl-2-piperidin-1-yloxane-4-carboxylic acid

C12H21NO3 — CID 175051944

IUPAC2-methyl-2-piperidin-1-yloxane-4-carboxylic acid
SMILESCC1(N2CCCCC2)CC(C(=O)O)CCO1
InChIInChI=1S/C12H21NO3/c1-12(13-6-3-2-4-7-13)9-10(11(14)15)5-8-16-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyOTIDMQKAVWVCIA-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.70
Rot. Bonds2

About 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid

2-methyl-2-piperidin-1-yloxane-4-carboxylic acid (PubChem CID 175051944) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yloxane-4-carboxylic acid
PubChem CID175051944
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-methyl-2-piperidin-1-yloxane-4-carboxylic acid
SMILESCC1(N2CCCCC2)CC(C(=O)O)CCO1
InChIInChI=1S/C12H21NO3/c1-12(13-6-3-2-4-7-13)9-10(11(14)15)5-8-16-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyOTIDMQKAVWVCIA-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(Hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate
CID 91244753
2-[1-(Oxan-4-ylmethyl)piperidin-3-yl]acetic acid
CID 55105141
2-[1-(Oxan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 65059852
2-[1-(2-Methyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060155
1-(Oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 65064724
2-(4-Ethoxy-1-methylpiperidin-3-yl)acetic acid
CID 82397293
3-(Oxan-4-yl)-4-piperidin-1-ylbutanoic acid
CID 84177471
4-(1-Methylpiperidin-4-yl)oxane-4-carboxylic acid
CID 96801177
2-Methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid
CID 106744645
2-Methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid
CID 106745187
1-(3-Methoxycyclohexyl)-2-methylpiperidine-4-carboxylic acid
CID 106745188
2-Methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
CID 106745418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
The IUPAC name of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid (CID 175051944) is 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid.
What is the SMILES notation for 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
The canonical SMILES for 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid is CC1(N2CCCCC2)CC(C(=O)O)CCO1.
What is the InChIKey of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
The InChIKey is OTIDMQKAVWVCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(13-6-3-2-4-7-13)9-10(11(14)15)5-8-16-12/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid?
2-methyl-2-piperidin-1-yloxane-4-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yloxane-4-carboxylic acid is sourced from PubChem (CID 175051944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).