methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate

C13H24N2O2 — CID 60797308

IUPACmethyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCN(C(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-8-6-13(7-9-15,12(16)17-3)14-11-4-5-11/h10-11,14H,4-9H2,1-3H3
InChIKeyNLJRAVGQMVTUEV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds4

About methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate

methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate (PubChem CID 60797308) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
PubChem CID60797308
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCN(C(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-8-6-13(7-9-15,12(16)17-3)14-11-4-5-11/h10-11,14H,4-9H2,1-3H3
InChIKeyNLJRAVGQMVTUEV-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
methyl 4-(cyclopropylmethylamino)-1-propan-2-ylazepane-4-carboxylate
CID 65076110
methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate
CID 62977893
methyl 4-(cyclopropylamino)oxane-4-carboxylate
CID 60796151
4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075797
methyl 4-(2-azidoethylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 66191601
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
methyl 1-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79655269
methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645623
methyl 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylate
CID 62976040

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate (CID 60797308) is methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate is COC(=O)C1(NC2CC2)CCN(C(C)C)CC1.
What is the InChIKey of methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is NLJRAVGQMVTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)15-8-6-13(7-9-15,12(16)17-3)14-11-4-5-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate?
methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 60797308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).