methyl 4-(dimethylamino)piperidine-1-carboxylate

C9H18N2O2 — CID 20770676

IUPACmethyl 4-(dimethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C9H18N2O2/c1-10(2)8-4-6-11(7-5-8)9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyLXMSQHPKIUYDGT-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.78
Rot. Bonds1

About methyl 4-(dimethylamino)piperidine-1-carboxylate

methyl 4-(dimethylamino)piperidine-1-carboxylate (PubChem CID 20770676) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 4-(dimethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)piperidine-1-carboxylate
PubChem CID20770676
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 4-(dimethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C9H18N2O2/c1-10(2)8-4-6-11(7-5-8)9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyLXMSQHPKIUYDGT-UHFFFAOYSA-N
XLogP0.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxycarbonylpiperidine
CID 232666
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
3-(Dimethylamino)butyl piperidine-1-carboxylate
CID 44589438
Methyl 4-aminopiperidine-1-carboxylate
CID 28377655
Methyl 4-aminopiperidine-1-carboxylate hydrochloride
CID 53256203
1-((Tert-butoxy)carbonyl)-4-isocyanopiperidine
CID 57804264
methyl (2S,4R)-4-fluoro-2-heptylpiperidine-1-carboxylate
CID 67877724
methyl (2S,4S)-4-fluoro-2-heptylpiperidine-1-carboxylate
CID 67877769
methyl N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)carbamate
CID 15725064
methyl N-methyl-N-[(1-methylpiperidin-3-yl)methyl]carbamate
CID 115190705
1-Piperidinecarboxylic acid, 2-propyl-, methyl ester
CID 259042
Ethyl 2-methylpiperidine-1-carboxylate
CID 251479

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(dimethylamino)piperidine-1-carboxylate (CID 20770676) is methyl 4-(dimethylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(dimethylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(dimethylamino)piperidine-1-carboxylate is COC(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of methyl 4-(dimethylamino)piperidine-1-carboxylate?
The InChIKey is LXMSQHPKIUYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)8-4-6-11(7-5-8)9(12)13-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 4-(dimethylamino)piperidine-1-carboxylate?
methyl 4-(dimethylamino)piperidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 20770676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).