Tert-butyl 4-benzylpiperidine-1-carboxylate

C17H25NO2 — CID 21843371

IUPACtert-butyl 4-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=CC=C2
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-11-9-15(10-12-18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyYJTHFKMWAUAXDX-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.80
Rot. Bonds4

About Tert-butyl 4-benzylpiperidine-1-carboxylate

Tert-butyl 4-benzylpiperidine-1-carboxylate (PubChem CID 21843371) has the molecular formula C17H25NO2 and a molecular weight of 275.40 g/mol. Its IUPAC name is tert-butyl 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-benzylpiperidine-1-carboxylate
PubChem CID21843371
Molecular FormulaC17H25NO2
Molecular Weight275.40 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 4-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=CC=C2
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-11-9-15(10-12-18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyYJTHFKMWAUAXDX-UHFFFAOYSA-N
XLogP3.80
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity307

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.80
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
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
{2-Oxo-2-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethyl}-carbamic acid tert-butyl ester
CID 10784820
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-benzylpiperidine-1-carboxylate?
The IUPAC name of Tert-butyl 4-benzylpiperidine-1-carboxylate (CID 21843371) is tert-butyl 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 4-benzylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=CC=C2.
What is the InChIKey of Tert-butyl 4-benzylpiperidine-1-carboxylate?
The InChIKey is YJTHFKMWAUAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-11-9-15(10-12-18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of Tert-butyl 4-benzylpiperidine-1-carboxylate?
Tert-butyl 4-benzylpiperidine-1-carboxylate has a molecular weight of 275.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 21843371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).