benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate

C23H28N2O3 — CID 110637877

IUPACbenzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C23H28N2O3/c26-22(28-19-20-7-3-1-4-8-20)24-13-11-23(12-14-24,21-9-5-2-6-10-21)25-15-17-27-18-16-25/h1-10H,11-19H2
InChIKeyMPECXTRGGVGNMZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.65
Rot. Bonds4

About benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate

benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate (PubChem CID 110637877) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate
PubChem CID110637877
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebenzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C23H28N2O3/c26-22(28-19-20-7-3-1-4-8-20)24-13-11-23(12-14-24,21-9-5-2-6-10-21)25-15-17-27-18-16-25/h1-10H,11-19H2
InChIKeyMPECXTRGGVGNMZ-UHFFFAOYSA-N
XLogP3.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
4-morpholin-4-yl-4-phenyl-N-propylpiperidine-1-carboxamide
CID 110637882
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 59305246
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170907398
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066

Frequently Asked Questions

What is the IUPAC name of benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate (CID 110637877) is benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(c2ccccc2)(N2CCOCC2)CC1.
What is the InChIKey of benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate?
The InChIKey is MPECXTRGGVGNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(28-19-20-7-3-1-4-8-20)24-13-11-23(12-14-24,21-9-5-2-6-10-21)25-15-17-27-18-16-25/h1-10H,11-19H2.
What are the key properties of benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate?
benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 110637877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).