phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate

C19H21NO3 — CID 110397090

IUPACphenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
SMILESCc1ccc(OC2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3/c1-15-7-9-17(10-8-15)22-18-11-13-20(14-12-18)19(21)23-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyDSKLVURGLNKIIK-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.04
Rot. Bonds3

About phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate

phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate (PubChem CID 110397090) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
PubChem CID110397090
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namephenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
SMILESCc1ccc(OC2CCN(C(=O)Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO3/c1-15-7-9-17(10-8-15)22-18-11-13-20(14-12-18)19(21)23-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyDSKLVURGLNKIIK-UHFFFAOYSA-N
XLogP4.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(4-methylphenyl) 4-(3-chloro-4-isocyanophenoxy)piperidine-1-carboxylate
CID 170513726
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
phenyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]piperidine-1-carboxylate
CID 54102589
phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
CID 89146038
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119292093
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate (CID 110397090) is phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate is Cc1ccc(OC2CCN(C(=O)Oc3ccccc3)CC2)cc1.
What is the InChIKey of phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate?
The InChIKey is DSKLVURGLNKIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15-7-9-17(10-8-15)22-18-11-13-20(14-12-18)19(21)23-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3.
What are the key properties of phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate?
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 110397090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).