[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride

C13H19Cl2NO2 — CID 174693585

IUPAC[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride
SMILESCl.Cl.O=COC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO2.2ClH/c15-11-16-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14;;/h1,3-4,7-8,11,13H,2,5-6,9-10H2;2*1H
InChIKeyNSTZOZXZMLHWJD-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.19
Rot. Bonds4

About [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride

[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride (PubChem CID 174693585) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride.

Molecular Properties

Compound Name[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride
PubChem CID174693585
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride
SMILESCl.Cl.O=COC(c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO2.2ClH/c15-11-16-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14;;/h1,3-4,7-8,11,13H,2,5-6,9-10H2;2*1H
InChIKeyNSTZOZXZMLHWJD-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate
CID 174926147
[1,3-oxazolidin-3-yl(phenyl)methyl] formate
CID 174499790
[phenyl(pyrrolidin-1-yl)methyl] carbonochloridate
CID 174805703
[(3-oxopiperazin-1-yl)-phenylmethyl] formate
CID 174438417
[phenyl(pyrrolidin-1-yl)methyl] benzoate
CID 162398748
[[4-[4-(2-chloroethoxy)phenyl]piperidin-1-yl]-phenylmethyl] formate
CID 174978163
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
1-(1-phenylprop-2-enyl)piperidine
CID 10932509
[(2-cyclopentyl-3-oxopiperazin-1-yl)-phenylmethyl] formate
CID 174460589
tert-butyl 4-amino-3-[1-[formyloxy(phenyl)methyl]piperidin-3-yl]-1,2-thiazole-5-carboxylate
CID 174555228
1-benzhydryloxypiperidine;hydrochloride
CID 18381951
[[3-(2-bromoacetyl)-4-ethylpyrrolidin-1-yl]-phenylmethyl] formate
CID 175158638

Frequently Asked Questions

What is the IUPAC name of [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride?
The IUPAC name of [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride (CID 174693585) is [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride.
What is the SMILES notation for [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride?
The canonical SMILES for [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride is Cl.Cl.O=COC(c1ccccc1)N1CCCCC1.
What is the InChIKey of [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride?
The InChIKey is NSTZOZXZMLHWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.2ClH/c15-11-16-13(12-7-3-1-4-8-12)14-9-5-2-6-10-14;;/h1,3-4,7-8,11,13H,2,5-6,9-10H2;2*1H.
What are the key properties of [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride?
[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(piperidin-1-yl)methyl] formate;dihydrochloride is sourced from PubChem (CID 174693585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).