2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid

C14H25NO2 — CID 96591939

IUPAC2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid
SMILESCN1CCC[C@H](CC(=O)O)[C@H]1C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-15-9-5-8-12(10-13(16)17)14(15)11-6-3-2-4-7-11/h11-12,14H,2-10H2,1H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyGNDRDWPKEHJIMX-TZMCWYRMSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds3

About 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid

2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid (PubChem CID 96591939) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid
PubChem CID96591939
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid
SMILESCN1CCC[C@H](CC(=O)O)[C@H]1C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-15-9-5-8-12(10-13(16)17)14(15)11-6-3-2-4-7-11/h11-12,14H,2-10H2,1H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyGNDRDWPKEHJIMX-TZMCWYRMSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine
CID 142426324
3-[(2S)-2-cyclohexylpyrrolidin-1-yl]propanoic acid
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2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
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2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
CID 170368031
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
CID 96603790
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-oxobutanoic acid
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5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid (CID 96591939) is 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid is CN1CCC[C@H](CC(=O)O)[C@H]1C1CCCCC1.
What is the InChIKey of 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid?
The InChIKey is GNDRDWPKEHJIMX-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15-9-5-8-12(10-13(16)17)14(15)11-6-3-2-4-7-11/h11-12,14H,2-10H2,1H3,(H,16,17)/t12-,14-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid?
2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-cyclohexyl-1-methylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 96591939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).