tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate

C17H25NO2 — CID 11288871

IUPACtert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-5-7-14(8-6-13)15-9-11-18(12-10-15)16(19)20-17(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyHWQPBEKHKMNAHV-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.11
Rot. Bonds1

About tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate (PubChem CID 11288871) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate
PubChem CID11288871
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13-5-7-14(8-6-13)15-9-11-18(12-10-15)16(19)20-17(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyHWQPBEKHKMNAHV-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AI3-37157
CID 760213
AI3-37156
CID 897567
Piperidine, N-acetyl-4-benzyl-
CID 299608
3-(4-Isobutylphenyl)-1-piperidino-2-propen-1-one
CID 6116364
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Ethyl 4-(2-phenylethyl)-1-piperazinecarboxylate
CID 783195
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
1-N-Boc-4-(4-bromophenyl)piperidine
CID 27281782
Ethyl 4-[3-(3-methylphenyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 155518361
Ethyl 4-(2,2-diphenylethyl)-1-piperazinecarboxylate
CID 783574
Tert-butyl 4-(aminomethyl)-4-(3-fluorophenyl)piperidine-1-carboxylate
CID 23601101

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate (CID 11288871) is tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate is Cc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate?
The InChIKey is HWQPBEKHKMNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-5-7-14(8-6-13)15-9-11-18(12-10-15)16(19)20-17(2,3)4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 11288871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).