benzyl formate;piperidin-3-ylhydrazine

C13H21N3O2 — CID 174774253

IUPACbenzyl formate;piperidin-3-ylhydrazine
SMILESNNC1CCCNC1.O=COCc1ccccc1
InChIInChI=1S/C8H8O2.C5H13N3/c9-7-10-6-8-4-2-1-3-5-8;6-8-5-2-1-3-7-4-5/h1-5,7H,6H2;5,7-8H,1-4,6H2
InChIKeyRAQPWOBEXPXQRY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.56
Rot. Bonds4

About benzyl formate;piperidin-3-ylhydrazine

benzyl formate;piperidin-3-ylhydrazine (PubChem CID 174774253) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is benzyl formate;piperidin-3-ylhydrazine.

Molecular Properties

Compound Namebenzyl formate;piperidin-3-ylhydrazine
PubChem CID174774253
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namebenzyl formate;piperidin-3-ylhydrazine
SMILESNNC1CCCNC1.O=COCc1ccccc1
InChIInChI=1S/C8H8O2.C5H13N3/c9-7-10-6-8-4-2-1-3-5-8;6-8-5-2-1-3-7-4-5/h1-5,7H,6H2;5,7-8H,1-4,6H2
InChIKeyRAQPWOBEXPXQRY-UHFFFAOYSA-N
XLogP0.56
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
CID 142544964
benzyl formate;2-methylazetidine
CID 159394402
dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide
CID 90003955
benzyl formate;(6S)-6-methylpiperazin-2-one
CID 174951053
benzyl formate;(3R,4R)-4-fluoropyrrolidin-3-amine
CID 174927682
benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 174487902
3-azidopiperidin-4-ol;benzyl formate
CID 161036210
benzyl formate;piperazine-1-carbothioamide
CID 157433611
benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 146482911
benzyl formate;tert-butyl N-[(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 174724044
benzyl formate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174582130
benzyl formate;ethane;4-fluoro-1-methylpiperidine
CID 143937887

Frequently Asked Questions

What is the IUPAC name of benzyl formate;piperidin-3-ylhydrazine?
The IUPAC name of benzyl formate;piperidin-3-ylhydrazine (CID 174774253) is benzyl formate;piperidin-3-ylhydrazine.
What is the SMILES notation for benzyl formate;piperidin-3-ylhydrazine?
The canonical SMILES for benzyl formate;piperidin-3-ylhydrazine is NNC1CCCNC1.O=COCc1ccccc1.
What is the InChIKey of benzyl formate;piperidin-3-ylhydrazine?
The InChIKey is RAQPWOBEXPXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C5H13N3/c9-7-10-6-8-4-2-1-3-5-8;6-8-5-2-1-3-7-4-5/h1-5,7H,6H2;5,7-8H,1-4,6H2.
What are the key properties of benzyl formate;piperidin-3-ylhydrazine?
benzyl formate;piperidin-3-ylhydrazine has a molecular weight of 251.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;piperidin-3-ylhydrazine is sourced from PubChem (CID 174774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).