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

C16H30N2O2 — CID 60999032

IUPACmethyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CCN(C(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18-11-9-16(10-12-18,15(19)20-3)17-14-7-5-4-6-8-14/h13-14,17H,4-12H2,1-3H3
InChIKeyPXKLFFMUWBBROW-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.32
Rot. Bonds4

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

methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate (PubChem CID 60999032) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
PubChem CID60999032
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC2CCCCC2)CCN(C(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-13(2)18-11-9-16(10-12-18,15(19)20-3)17-14-7-5-4-6-8-14/h13-14,17H,4-12H2,1-3H3
InChIKeyPXKLFFMUWBBROW-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60797308
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075797
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
methyl 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylate
CID 62976040
methyl 4-(cyclohexylamino)-1-propylazepane-4-carboxylate
CID 65075656
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
methyl 4-(cyclopropylmethylamino)-1-propan-2-ylazepane-4-carboxylate
CID 65076110
methyl 4-(cycloheptylamino)oxepane-4-carboxylate
CID 65079295
methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999242
methyl 1-(cyclohexylamino)-3-methylcyclopentane-1-carboxylate
CID 64514041
methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64746251

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate (CID 60999032) is methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate is COC(=O)C1(NC2CCCCC2)CCN(C(C)C)CC1.
What is the InChIKey of methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is PXKLFFMUWBBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)18-11-9-16(10-12-18,15(19)20-3)17-14-7-5-4-6-8-14/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate?
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 60999032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).