methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate

C12H24N2O2 — CID 115630551

IUPACmethyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-13(2)7-4-8-14-9-5-11(6-10-14)12(15)16-3/h11H,4-10H2,1-3H3
InChIKeyVNMHVIOUAKDOMO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds5

About methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate

methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate (PubChem CID 115630551) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
PubChem CID115630551
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-13(2)7-4-8-14-9-5-11(6-10-14)12(15)16-3/h11H,4-10H2,1-3H3
InChIKeyVNMHVIOUAKDOMO-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
1-[3-(dimethylamino)propyl]piperidine-4-carbothioamide
CID 114525377
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
methyl 1-[N'-methyl-N-(4-pyrrolidin-1-ylbutyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252477
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765
methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate
CID 115688743
methyl 1-[N'-methyl-N-(4-pyrrolidin-1-ylbutyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252476
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate (CID 115630551) is methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate is COC(=O)C1CCN(CCCN(C)C)CC1.
What is the InChIKey of methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate?
The InChIKey is VNMHVIOUAKDOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13(2)7-4-8-14-9-5-11(6-10-14)12(15)16-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate?
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate is sourced from PubChem (CID 115630551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).