methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate

C13H24N2O2 — CID 175719062

IUPACmethyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1N
InChIInChI=1S/C13H24N2O2/c1-17-13(16)11-9-15(8-7-12(11)14)10-5-3-2-4-6-10/h10-12H,2-9,14H2,1H3/t11-,12-/m1/s1
InChIKeyULUWGDNIQXTLLT-VXGBXAGGSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds2

About methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate

methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate (PubChem CID 175719062) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
PubChem CID175719062
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1N
InChIInChI=1S/C13H24N2O2/c1-17-13(16)11-9-15(8-7-12(11)14)10-5-3-2-4-6-10/h10-12H,2-9,14H2,1H3/t11-,12-/m1/s1
InChIKeyULUWGDNIQXTLLT-VXGBXAGGSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693
1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628
1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate
CID 89461042
(3R,4R)-4-amino-1-cyclohexyl-N-(1-pyridin-2-ylcyclopropyl)piperidine-3-carboxamide
CID 175719148
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
[(3R,4R)-4-amino-1-cyclohexylpiperidin-3-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 134209461
methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 130875347
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate (CID 175719062) is methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate is COC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1N.
What is the InChIKey of methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate?
The InChIKey is ULUWGDNIQXTLLT-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-13(16)11-9-15(8-7-12(11)14)10-5-3-2-4-6-10/h10-12H,2-9,14H2,1H3/t11-,12-/m1/s1.
What are the key properties of methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate?
methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate is sourced from PubChem (CID 175719062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).