benzyl 2-hydroxypiperidine-1-carboxylate

C13H17NO3 — CID 10704905

IUPACbenzyl 2-hydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1O
InChIInChI=1S/C13H17NO3/c15-12-8-4-5-9-14(12)13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2
InChIKeyDJHBQZYPXJJJMZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.13
Rot. Bonds2

About benzyl 2-hydroxypiperidine-1-carboxylate

benzyl 2-hydroxypiperidine-1-carboxylate (PubChem CID 10704905) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl 2-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-hydroxypiperidine-1-carboxylate
PubChem CID10704905
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl 2-hydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1O
InChIInChI=1S/C13H17NO3/c15-12-8-4-5-9-14(12)13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2
InChIKeyDJHBQZYPXJJJMZ-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxypiperidine-1-carboxylate?
The IUPAC name of benzyl 2-hydroxypiperidine-1-carboxylate (CID 10704905) is benzyl 2-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-hydroxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-hydroxypiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCCC1O.
What is the InChIKey of benzyl 2-hydroxypiperidine-1-carboxylate?
The InChIKey is DJHBQZYPXJJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-8-4-5-9-14(12)13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2.
What are the key properties of benzyl 2-hydroxypiperidine-1-carboxylate?
benzyl 2-hydroxypiperidine-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 10704905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).