benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine

C24H36N2O6 — CID 160872893

IUPACbenzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine
SMILESC1CC(C2OCCO2)CCN1.O=C(OCc1ccccc1)N1CCC(C2OCCO2)CC1
InChIInChI=1S/C16H21NO4.C8H15NO2/c18-16(21-12-13-4-2-1-3-5-13)17-8-6-14(7-9-17)15-19-10-11-20-15;1-3-9-4-2-7(1)8-10-5-6-11-8/h1-5,14-15H,6-12H2;7-9H,1-6H2
InChIKeySLZKHCGCKQIITF-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.77
Rot. Bonds4

About benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine

benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine (PubChem CID 160872893) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Namebenzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine
PubChem CID160872893
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC Namebenzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine
SMILESC1CC(C2OCCO2)CCN1.O=C(OCc1ccccc1)N1CCC(C2OCCO2)CC1
InChIInChI=1S/C16H21NO4.C8H15NO2/c18-16(21-12-13-4-2-1-3-5-13)17-8-6-14(7-9-17)15-19-10-11-20-15;1-3-9-4-2-7(1)8-10-5-6-11-8/h1-5,14-15H,6-12H2;7-9H,1-6H2
InChIKeySLZKHCGCKQIITF-UHFFFAOYSA-N
XLogP2.77
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
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benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
CID 145307834
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 166066135
benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate
CID 175106177
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl aziridine-1-carboxylate;silane
CID 158496499

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine (CID 160872893) is benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine is C1CC(C2OCCO2)CCN1.O=C(OCc1ccccc1)N1CCC(C2OCCO2)CC1.
What is the InChIKey of benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is SLZKHCGCKQIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4.C8H15NO2/c18-16(21-12-13-4-2-1-3-5-13)17-8-6-14(7-9-17)15-19-10-11-20-15;1-3-9-4-2-7(1)8-10-5-6-11-8/h1-5,14-15H,6-12H2;7-9H,1-6H2.
What are the key properties of benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine?
benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 448.56 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 160872893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).