benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate

C20H23NO3 — CID 142093012

IUPACbenzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cc2ccccc2)C(O)C1
InChIInChI=1S/C20H23NO3/c22-19-14-21(20(23)24-15-17-9-5-2-6-10-17)12-11-18(19)13-16-7-3-1-4-8-16/h1-10,18-19,22H,11-15H2
InChIKeyFKMJABDJDBVBHX-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.25
Rot. Bonds4

About benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate

benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate (PubChem CID 142093012) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
PubChem CID142093012
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Cc2ccccc2)C(O)C1
InChIInChI=1S/C20H23NO3/c22-19-14-21(20(23)24-15-17-9-5-2-6-10-17)12-11-18(19)13-16-7-3-1-4-8-16/h1-10,18-19,22H,11-15H2
InChIKeyFKMJABDJDBVBHX-UHFFFAOYSA-N
XLogP3.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 155921089
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl (3S)-3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71646510
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693

Frequently Asked Questions

What is the IUPAC name of benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate (CID 142093012) is benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Cc2ccccc2)C(O)C1.
What is the InChIKey of benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate?
The InChIKey is FKMJABDJDBVBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19-14-21(20(23)24-15-17-9-5-2-6-10-17)12-11-18(19)13-16-7-3-1-4-8-16/h1-10,18-19,22H,11-15H2.
What are the key properties of benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate?
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 142093012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).