5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine

C14H29N — CID 174171326

IUPAC5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CC(C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C14H29N/c1-11(2)15-9-12(13(3,4)5)8-14(6,7)10-15/h11-12H,8-10H2,1-7H3
InChIKeyPTSDNRVBAOGOFF-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.79
Rot. Bonds1

About 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine

5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine (PubChem CID 174171326) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
PubChem CID174171326
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CC(C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C14H29N/c1-11(2)15-9-12(13(3,4)5)8-14(6,7)10-15/h11-12H,8-10H2,1-7H3
InChIKeyPTSDNRVBAOGOFF-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 153498477
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
CID 157420520
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
CID 168795726
(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 176594070
2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 167091312
1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
CID 130233659
3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine
CID 167001874
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 176841713
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
CID 59984592

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine?
The IUPAC name of 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine (CID 174171326) is 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine?
The canonical SMILES for 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine is CC(C)N1CC(C(C)(C)C)CC(C)(C)C1.
What is the InChIKey of 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine?
The InChIKey is PTSDNRVBAOGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)15-9-12(13(3,4)5)8-14(6,7)10-15/h11-12H,8-10H2,1-7H3.
What are the key properties of 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine?
5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 174171326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).