methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate

C16H29NO3 — CID 124828899

IUPACmethyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate
SMILESCOC(=O)[C@H](O)C1CCN(C[C@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C16H29NO3/c1-12-5-3-4-6-14(12)11-17-9-7-13(8-10-17)15(18)16(19)20-2/h12-15,18H,3-11H2,1-2H3/t12-,14-,15-/m1/s1
InChIKeyPGFGOWACHRXLEL-BPLDGKMQSA-N
MW283.41 g/mol
LogP2.06
Rot. Bonds4

About methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate

methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate (PubChem CID 124828899) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate
PubChem CID124828899
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate
SMILESCOC(=O)[C@H](O)C1CCN(C[C@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C16H29NO3/c1-12-5-3-4-6-14(12)11-17-9-7-13(8-10-17)15(18)16(19)20-2/h12-15,18H,3-11H2,1-2H3/t12-,14-,15-/m1/s1
InChIKeyPGFGOWACHRXLEL-BPLDGKMQSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate with MolForge

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Related Compounds

methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
N,N-dimethyl-1-[(2-methylcyclohexyl)methyl]piperidin-4-amine
CID 163161369
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-4-amine
CID 107418810
N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide
CID 124828912
methyl (2R)-2-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 99833623
methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate
CID 79391970
methyl (2S)-2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 129403207
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
CID 131175766
methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
CID 66289634
methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
CID 75431209
cyclopropyl-[4-[(2-methylcyclopentyl)methyl]-1,4-diazepan-1-yl]methanone
CID 167912690
methyl 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133495038

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate (CID 124828899) is methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate is COC(=O)[C@H](O)C1CCN(C[C@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate?
The InChIKey is PGFGOWACHRXLEL-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12-5-3-4-6-14(12)11-17-9-7-13(8-10-17)15(18)16(19)20-2/h12-15,18H,3-11H2,1-2H3/t12-,14-,15-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate?
methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 124828899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).