piperidin-4-ylmethyl piperidine-4-carboxylate

C12H22N2O2 — CID 162440838

IUPACpiperidin-4-ylmethyl piperidine-4-carboxylate
SMILESO=C(OCC1CCNCC1)C1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(11-3-7-14-8-4-11)16-9-10-1-5-13-6-2-10/h10-11,13-14H,1-9H2
InChIKeySKYXSUPEGOUZCT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds3

About piperidin-4-ylmethyl piperidine-4-carboxylate

piperidin-4-ylmethyl piperidine-4-carboxylate (PubChem CID 162440838) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is piperidin-4-ylmethyl piperidine-4-carboxylate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl piperidine-4-carboxylate
PubChem CID162440838
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namepiperidin-4-ylmethyl piperidine-4-carboxylate
SMILESO=C(OCC1CCNCC1)C1CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(11-3-7-14-8-4-11)16-9-10-1-5-13-6-2-10/h10-11,13-14H,1-9H2
InChIKeySKYXSUPEGOUZCT-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

(4-oxocyclohexyl)methyl piperidine-4-carboxylate
CID 170173347
[(3R)-pyrrolidin-3-yl]methyl cyclopropanecarboxylate
CID 86319695
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
piperidine-4-carboperoxoic acid
CID 19094880
2-(2,2-dibromoacetyl)oxyethyl piperidine-4-carboxylate
CID 162508841
2-methylpropyl piperidin-4-ylmethyl carbonate
CID 79338526
piperidin-4-ylmethyl 2,2-dimethylbutanoate
CID 59513098
cyclopentylmethyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525664
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
[(1S,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl piperidine-4-carboxylate
CID 129449109

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl piperidine-4-carboxylate?
The IUPAC name of piperidin-4-ylmethyl piperidine-4-carboxylate (CID 162440838) is piperidin-4-ylmethyl piperidine-4-carboxylate.
What is the SMILES notation for piperidin-4-ylmethyl piperidine-4-carboxylate?
The canonical SMILES for piperidin-4-ylmethyl piperidine-4-carboxylate is O=C(OCC1CCNCC1)C1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl piperidine-4-carboxylate?
The InChIKey is SKYXSUPEGOUZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(11-3-7-14-8-4-11)16-9-10-1-5-13-6-2-10/h10-11,13-14H,1-9H2.
What are the key properties of piperidin-4-ylmethyl piperidine-4-carboxylate?
piperidin-4-ylmethyl piperidine-4-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl piperidine-4-carboxylate is sourced from PubChem (CID 162440838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).