methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate

C13H24N2O2 — CID 83991561

IUPACmethyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC2CC2)CN(C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-7-10(13(16)17-3)6-12(8-15)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyFSRRSEDSTWKHNN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate

methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate (PubChem CID 83991561) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
PubChem CID83991561
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC2CC2)CN(C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-7-10(13(16)17-3)6-12(8-15)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyFSRRSEDSTWKHNN-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(cyclopentylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 83999822
methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
CID 83996009
methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
CID 113351735
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
1-methyl-4-propan-2-ylpiperazine;methyl 1-propan-2-ylpiperidine-4-carboxylate;bis(1-(1-propan-2-ylpiperidin-3-yl)ethanone);1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 167665547
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
methyl 1,4-di(propan-2-yl)pyrrolidine-3-carboxylate
CID 167252053
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
N-(1-propan-2-ylazetidin-3-yl)azetidine-2-carboxamide
CID 131007923
methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83991939

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate (CID 83991561) is methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate is COC(=O)C1CC(NC2CC2)CN(C(C)C)C1.
What is the InChIKey of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The InChIKey is FSRRSEDSTWKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15-7-10(13(16)17-3)6-12(8-15)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 83991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).