methyl 2-piperidin-4-ylpiperidine-4-carboxylate

C12H22N2O2 — CID 105484069

IUPACmethyl 2-piperidin-4-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(C2CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)10-4-7-14-11(8-10)9-2-5-13-6-3-9/h9-11,13-14H,2-8H2,1H3
InChIKeyKKUDOEJXRMBTRQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds2

About methyl 2-piperidin-4-ylpiperidine-4-carboxylate

methyl 2-piperidin-4-ylpiperidine-4-carboxylate (PubChem CID 105484069) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-piperidin-4-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperidin-4-ylpiperidine-4-carboxylate
PubChem CID105484069
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 2-piperidin-4-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(C2CCNCC2)C1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)10-4-7-14-11(8-10)9-2-5-13-6-3-9/h9-11,13-14H,2-8H2,1H3
InChIKeyKKUDOEJXRMBTRQ-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylate;hydrochloride
CID 155971059
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl (4R)-azepane-4-carboxylate
CID 45090253
methyl pyrrolidine-3-carboxylate
CID 4114360
(3aR,6R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxylic acid
CID 100654235
methyl 3-piperidin-4-yloxycyclobutane-1-carboxylate
CID 146340071
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
2-cyclopentylpiperidine-4-carboxylic acid
CID 82398754
N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxamide
CID 130581774
methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-4-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 2-piperidin-4-ylpiperidine-4-carboxylate (CID 105484069) is methyl 2-piperidin-4-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 2-piperidin-4-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 2-piperidin-4-ylpiperidine-4-carboxylate is COC(=O)C1CCNC(C2CCNCC2)C1.
What is the InChIKey of methyl 2-piperidin-4-ylpiperidine-4-carboxylate?
The InChIKey is KKUDOEJXRMBTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)10-4-7-14-11(8-10)9-2-5-13-6-3-9/h9-11,13-14H,2-8H2,1H3.
What are the key properties of methyl 2-piperidin-4-ylpiperidine-4-carboxylate?
methyl 2-piperidin-4-ylpiperidine-4-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-4-ylpiperidine-4-carboxylate is sourced from PubChem (CID 105484069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).