methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate

C11H22N2O2 — CID 60787071

IUPACmethyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NC)(C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-7-13-8-5-11(12-2,6-9-13)10(14)15-3/h12H,4-9H2,1-3H3
InChIKeyDWLZIMMMGYJARM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds4

About methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate

methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate (PubChem CID 60787071) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
PubChem CID60787071
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NC)(C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-4-7-13-8-5-11(12-2,6-9-13)10(14)15-3/h12H,4-9H2,1-3H3
InChIKeyDWLZIMMMGYJARM-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894020
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
methyl 4-(cyclohexylamino)-1-propylazepane-4-carboxylate
CID 65075656
4-(propan-2-ylamino)-1-propylpiperidine-4-carboxylic acid
CID 43754204
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
CID 62394199
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
ethyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894217
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
4-(cyclopropylamino)-1-propylpiperidine-4-carboxamide
CID 60796952
ethyl 4-(butan-2-ylamino)-1-propylazepane-4-carboxylate
CID 65076013

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate (CID 60787071) is methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate is CCCN1CCC(NC)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate?
The InChIKey is DWLZIMMMGYJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-13-8-5-11(12-2,6-9-13)10(14)15-3/h12H,4-9H2,1-3H3.
What are the key properties of methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate?
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate is sourced from PubChem (CID 60787071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).