methyl 1-piperidin-4-ylpiperidine-3-carboxylate

C12H22N2O2 — CID 44607682

IUPACmethyl 1-piperidin-4-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)10-3-2-8-14(9-10)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3
InChIKeyKVPXVSDIYOYVKS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds2

About methyl 1-piperidin-4-ylpiperidine-3-carboxylate

methyl 1-piperidin-4-ylpiperidine-3-carboxylate (PubChem CID 44607682) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 1-piperidin-4-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-piperidin-4-ylpiperidine-3-carboxylate
PubChem CID44607682
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 1-piperidin-4-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)10-3-2-8-14(9-10)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3
InChIKeyKVPXVSDIYOYVKS-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-3-carboxylate
CID 70943313
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl (4R)-azepane-4-carboxylate
CID 45090253
methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-3-carboxylate
CID 118992992
(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
CID 121456446
methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
CID 115537096
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700

Frequently Asked Questions

What is the IUPAC name of methyl 1-piperidin-4-ylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-piperidin-4-ylpiperidine-3-carboxylate (CID 44607682) is methyl 1-piperidin-4-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-piperidin-4-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-piperidin-4-ylpiperidine-3-carboxylate is COC(=O)C1CCCN(C2CCNCC2)C1.
What is the InChIKey of methyl 1-piperidin-4-ylpiperidine-3-carboxylate?
The InChIKey is KVPXVSDIYOYVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)10-3-2-8-14(9-10)11-4-6-13-7-5-11/h10-11,13H,2-9H2,1H3.
What are the key properties of methyl 1-piperidin-4-ylpiperidine-3-carboxylate?
methyl 1-piperidin-4-ylpiperidine-3-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperidin-4-ylpiperidine-3-carboxylate is sourced from PubChem (CID 44607682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).