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

C15H27NO3 — CID 167823400

IUPAC2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid
SMILESCC1CCCN(C[C@@]2(O)CCCC[C@@H]2CC(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-12-5-4-8-16(10-12)11-15(19)7-3-2-6-13(15)9-14(17)18/h12-13,19H,2-11H2,1H3,(H,17,18)/t12?,13-,15+/m1/s1
InChIKeyPPYUWBJPIARFQV-RLSDIYDTSA-N
MW269.38 g/mol
LogP2.11
Rot. Bonds4

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

2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid (PubChem CID 167823400) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid
PubChem CID167823400
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid
SMILESCC1CCCN(C[C@@]2(O)CCCC[C@@H]2CC(=O)O)C1
InChIInChI=1S/C15H27NO3/c1-12-5-4-8-16(10-12)11-15(19)7-3-2-6-13(15)9-14(17)18/h12-13,19H,2-11H2,1H3,(H,17,18)/t12?,13-,15+/m1/s1
InChIKeyPPYUWBJPIARFQV-RLSDIYDTSA-N
XLogP2.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 125440543
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 63622664
2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
CID 130640853
3-methylpiperidine-1-carboxylic acid
CID 22047728
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498493
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid (CID 167823400) is 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid is CC1CCCN(C[C@@]2(O)CCCC[C@@H]2CC(=O)O)C1.
What is the InChIKey of 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid?
The InChIKey is PPYUWBJPIARFQV-RLSDIYDTSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12-5-4-8-16(10-12)11-15(19)7-3-2-6-13(15)9-14(17)18/h12-13,19H,2-11H2,1H3,(H,17,18)/t12?,13-,15+/m1/s1.
What are the key properties of 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid?
2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 167823400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).