methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate

C15H27NO3 — CID 111461756

IUPACmethyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC1(O)CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-12-6-8-15(18,9-7-12)11-16-10-4-3-5-13(16)14(17)19-2/h12-13,18H,3-11H2,1-2H3
InChIKeyQVBBXPSQXJTXKJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.96
Rot. Bonds3

About methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate

methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate (PubChem CID 111461756) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate
PubChem CID111461756
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC1(O)CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-12-6-8-15(18,9-7-12)11-16-10-4-3-5-13(16)14(17)19-2/h12-13,18H,3-11H2,1-2H3
InChIKeyQVBBXPSQXJTXKJ-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
[(2S,4S)-1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 128982234
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl (2R)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-2-carboxylate
CID 102900010
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate (CID 111461756) is methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1CC1(O)CCC(C)CC1.
What is the InChIKey of methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate?
The InChIKey is QVBBXPSQXJTXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12-6-8-15(18,9-7-12)11-16-10-4-3-5-13(16)14(17)19-2/h12-13,18H,3-11H2,1-2H3.
What are the key properties of methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate?
methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-hydroxy-4-methylcyclohexyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 111461756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).