tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate

C16H31NO2 — CID 152973298

IUPACtert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
SMILESCC(C)C1CCN(CCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-13(2)14-8-11-17(12-9-14)10-6-7-15(18)19-16(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyUSXIVBMPXUXALC-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.48
Rot. Bonds5

About tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate

tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate (PubChem CID 152973298) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
PubChem CID152973298
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nametert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
SMILESCC(C)C1CCN(CCCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-13(2)14-8-11-17(12-9-14)10-6-7-15(18)19-16(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyUSXIVBMPXUXALC-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
tert-butyl 4-(4,4-dimethylazepan-1-yl)butanoate;hydrochloride
CID 119040963
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 70085519
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
1-decyl-4-propan-2-ylpiperidine
CID 166461232
4-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
CID 69324402
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate?
The IUPAC name of tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate (CID 152973298) is tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate.
What is the SMILES notation for tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate?
The canonical SMILES for tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate is CC(C)C1CCN(CCCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate?
The InChIKey is USXIVBMPXUXALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(2)14-8-11-17(12-9-14)10-6-7-15(18)19-16(3,4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate?
tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate has a molecular weight of 269.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate is sourced from PubChem (CID 152973298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).