benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate

C19H26N2O2 — CID 86642880

IUPACbenzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(=CN2CCCCC2)CC1
InChIInChI=1S/C19H26N2O2/c22-19(23-16-18-7-3-1-4-8-18)21-13-9-17(10-14-21)15-20-11-5-2-6-12-20/h1,3-4,7-8,15H,2,5-6,9-14,16H2
InChIKeyKWXOSBQESWOFKV-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.79
Rot. Bonds3

About benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate

benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate (PubChem CID 86642880) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate
PubChem CID86642880
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namebenzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(=CN2CCCCC2)CC1
InChIInChI=1S/C19H26N2O2/c22-19(23-16-18-7-3-1-4-8-18)21-13-9-17(10-14-21)15-20-11-5-2-6-12-20/h1,3-4,7-8,15H,2,5-6,9-14,16H2
InChIKeyKWXOSBQESWOFKV-UHFFFAOYSA-N
XLogP3.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl piperidine-1-carboxylate
CID 158057698
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-ethenylbut-2-enylidene)piperidine-1-carboxylate
CID 123761482
benzyl 3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
CID 101463739
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene
CID 143436152
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate (CID 86642880) is benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(=CN2CCCCC2)CC1.
What is the InChIKey of benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate?
The InChIKey is KWXOSBQESWOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(23-16-18-7-3-1-4-8-18)21-13-9-17(10-14-21)15-20-11-5-2-6-12-20/h1,3-4,7-8,15H,2,5-6,9-14,16H2.
What are the key properties of benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate?
benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 86642880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).