1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine

C16H33N — CID 176842011

IUPAC1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine
SMILESCC(CC1CCCN(C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-13(15(2,3)4)11-14-9-8-10-17(12-14)16(5,6)7/h13-14H,8-12H2,1-7H3
InChIKeyIZDKFCOPNPPZGC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds2

About 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine

1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine (PubChem CID 176842011) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine
PubChem CID176842011
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine
SMILESCC(CC1CCCN(C(C)(C)C)C1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-13(15(2,3)4)11-14-9-8-10-17(12-14)16(5,6)7/h13-14H,8-12H2,1-7H3
InChIKeyIZDKFCOPNPPZGC-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(2-methylpropyl)piperidine
CID 170069578
(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
[(3S)-1-tert-butylpiperidin-3-yl]methyl methanesulfonate
CID 164945767
1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
1,3-ditert-butylpiperidine;methane
CID 157116364
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine
CID 59880780
(3R)-1-tert-butyl-3-[(4,5-dimethylimidazol-1-yl)methyl]piperidine
CID 59880662
2-(1-tert-butylpiperidin-3-yl)-2-fluoroethanamine
CID 105454874
2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147460

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
The IUPAC name of 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine (CID 176842011) is 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
The canonical SMILES for 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine is CC(CC1CCCN(C(C)(C)C)C1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
The InChIKey is IZDKFCOPNPPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-13(15(2,3)4)11-14-9-8-10-17(12-14)16(5,6)7/h13-14H,8-12H2,1-7H3.
What are the key properties of 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine?
1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,3,3-trimethylbutyl)piperidine is sourced from PubChem (CID 176842011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).