(4-benzylpiperidin-1-yl) hydrogen carbonate

C13H17NO3 — CID 90757299

IUPAC(4-benzylpiperidin-1-yl) hydrogen carbonate
SMILESO=C(O)ON1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c15-13(16)17-14-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyPKZUDSXRDCSGCL-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.55
Rot. Bonds3

About (4-benzylpiperidin-1-yl) hydrogen carbonate

(4-benzylpiperidin-1-yl) hydrogen carbonate (PubChem CID 90757299) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl) hydrogen carbonate
PubChem CID90757299
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-benzylpiperidin-1-yl) hydrogen carbonate
SMILESO=C(O)ON1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c15-13(16)17-14-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyPKZUDSXRDCSGCL-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-methoxypiperidine
CID 146666995
CID 57307213
CID 57307213
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
[4-(hydroxymethyl)piperidin-1-yl] 2-benzylbenzoate
CID 174980143

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl) hydrogen carbonate?
The IUPAC name of (4-benzylpiperidin-1-yl) hydrogen carbonate (CID 90757299) is (4-benzylpiperidin-1-yl) hydrogen carbonate.
What is the SMILES notation for (4-benzylpiperidin-1-yl) hydrogen carbonate?
The canonical SMILES for (4-benzylpiperidin-1-yl) hydrogen carbonate is O=C(O)ON1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl) hydrogen carbonate?
The InChIKey is PKZUDSXRDCSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)17-14-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of (4-benzylpiperidin-1-yl) hydrogen carbonate?
(4-benzylpiperidin-1-yl) hydrogen carbonate has a molecular weight of 235.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl) hydrogen carbonate is sourced from PubChem (CID 90757299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).