(3,5-dimethoxyphenyl) piperidine-4-carboxylate

C14H19NO4 — CID 94276991

IUPAC(3,5-dimethoxyphenyl) piperidine-4-carboxylate
SMILESCOc1cc(OC)cc(OC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H19NO4/c1-17-11-7-12(18-2)9-13(8-11)19-14(16)10-3-5-15-6-4-10/h7-10,15H,3-6H2,1-2H3
InChIKeyKKBOWCPYQUVVEC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds4

About (3,5-dimethoxyphenyl) piperidine-4-carboxylate

(3,5-dimethoxyphenyl) piperidine-4-carboxylate (PubChem CID 94276991) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) piperidine-4-carboxylate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) piperidine-4-carboxylate
PubChem CID94276991
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(3,5-dimethoxyphenyl) piperidine-4-carboxylate
SMILESCOc1cc(OC)cc(OC(=O)C2CCNCC2)c1
InChIInChI=1S/C14H19NO4/c1-17-11-7-12(18-2)9-13(8-11)19-14(16)10-3-5-15-6-4-10/h7-10,15H,3-6H2,1-2H3
InChIKeyKKBOWCPYQUVVEC-UHFFFAOYSA-N
XLogP1.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
(2,4,5-trimethylphenyl) piperidine-4-carboxylate
CID 82118759
N-(3,5-dimethoxyphenyl)-2-piperidin-4-ylacetamide
CID 24703765
phenyl (3S)-pyrrolidine-3-carboxylate
CID 130688527
(2-hydroxyphenyl) piperidine-4-carboxylate
CID 117125932
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl (4R)-azepane-4-carboxylate
CID 45090253
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
piperidine-4-carboperoxoic acid
CID 19094880
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) piperidine-4-carboxylate?
The IUPAC name of (3,5-dimethoxyphenyl) piperidine-4-carboxylate (CID 94276991) is (3,5-dimethoxyphenyl) piperidine-4-carboxylate.
What is the SMILES notation for (3,5-dimethoxyphenyl) piperidine-4-carboxylate?
The canonical SMILES for (3,5-dimethoxyphenyl) piperidine-4-carboxylate is COc1cc(OC)cc(OC(=O)C2CCNCC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl) piperidine-4-carboxylate?
The InChIKey is KKBOWCPYQUVVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-11-7-12(18-2)9-13(8-11)19-14(16)10-3-5-15-6-4-10/h7-10,15H,3-6H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl) piperidine-4-carboxylate?
(3,5-dimethoxyphenyl) piperidine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) piperidine-4-carboxylate is sourced from PubChem (CID 94276991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).