methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate

C14H25NO2 — CID 178133241

IUPACmethyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(CC2CC2)CNCC(C(C)C)C1
InChIInChI=1S/C14H25NO2/c1-10(2)12-7-14(9-15-8-12,13(16)17-3)6-11-4-5-11/h10-12,15H,4-9H2,1-3H3/t12?,14-/m1/s1
InChIKeyRVCQDBYVZINFIO-TYZXPVIJSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds4

About methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate

methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate (PubChem CID 178133241) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate
PubChem CID178133241
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(CC2CC2)CNCC(C(C)C)C1
InChIInChI=1S/C14H25NO2/c1-10(2)12-7-14(9-15-8-12,13(16)17-3)6-11-4-5-11/h10-12,15H,4-9H2,1-3H3/t12?,14-/m1/s1
InChIKeyRVCQDBYVZINFIO-TYZXPVIJSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate
CID 178134234
methyl (3S)-5-(2,2-dimethylpropyl)-3-(2-methoxyethyl)piperidine-3-carboxylate;molecular hydrogen
CID 178133379
methyl 3-(fluoromethyl)azetidine-3-carboxylate;hydrochloride
CID 170913019
methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen
CID 178134303
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate
CID 99868054
7-propan-2-yl-5-azaspiro[2.5]octane
CID 118287950
methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
CID 116929765
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563540
methyl 3-(cyclopropylmethyl)-1,4-oxazepane-3-carboxylate
CID 105466761
tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate
CID 14740171

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate (CID 178133241) is methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate is COC(=O)[C@@]1(CC2CC2)CNCC(C(C)C)C1.
What is the InChIKey of methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate?
The InChIKey is RVCQDBYVZINFIO-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)12-7-14(9-15-8-12,13(16)17-3)6-11-4-5-11/h10-12,15H,4-9H2,1-3H3/t12?,14-/m1/s1.
What are the key properties of methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate?
methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 178133241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).