benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

C26H27NO3 — CID 10549065

IUPACbenzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27NO3/c28-25(30-20-21-10-4-1-5-11-21)27-18-16-24(17-19-27)26(29,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,29H,16-20H2
InChIKeyOGZGGCHTYQOEHD-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.97
Rot. Bonds5

About benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 10549065) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID10549065
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Namebenzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H27NO3/c28-25(30-20-21-10-4-1-5-11-21)27-18-16-24(17-19-27)26(29,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,29H,16-20H2
InChIKeyOGZGGCHTYQOEHD-UHFFFAOYSA-N
XLogP4.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[bis(4-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 45104644
benzyl 4-[bis(3,4-dimethoxyphenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 45104642
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
CID 18187454
benzyl 4-(3-hydrazinyl-3-oxopropyl)piperidine-1-carboxylate
CID 11335745

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 10549065) is benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is OGZGGCHTYQOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c28-25(30-20-21-10-4-1-5-11-21)27-18-16-24(17-19-27)26(29,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,29H,16-20H2.
What are the key properties of benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10549065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).