2-propan-2-yl-2-thiophen-2-ylpiperidine

C12H19NS — CID 117271337

IUPAC2-propan-2-yl-2-thiophen-2-ylpiperidine
SMILESCC(C)C1(c2cccs2)CCCCN1
InChIInChI=1S/C12H19NS/c1-10(2)12(7-3-4-8-13-12)11-6-5-9-14-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyIUZFNDWYMNKSPF-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.37
Rot. Bonds2

About 2-propan-2-yl-2-thiophen-2-ylpiperidine

2-propan-2-yl-2-thiophen-2-ylpiperidine (PubChem CID 117271337) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-propan-2-yl-2-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name2-propan-2-yl-2-thiophen-2-ylpiperidine
PubChem CID117271337
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-propan-2-yl-2-thiophen-2-ylpiperidine
SMILESCC(C)C1(c2cccs2)CCCCN1
InChIInChI=1S/C12H19NS/c1-10(2)12(7-3-4-8-13-12)11-6-5-9-14-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyIUZFNDWYMNKSPF-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-thiophen-2-ylpiperidine
CID 83530082
2-ethyl-2-thiophen-2-ylpiperidine
CID 117271329
2-(2,6-difluorophenyl)-2-propan-2-ylazepane
CID 79118040
4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
2-propyl-2-thiophen-2-ylazepane
CID 79116814
2-propan-2-yl-2-(4-propan-2-ylphenyl)azepane
CID 79116630
2-propan-2-yl-2-(2-thiophen-2-ylethyl)azepane
CID 79119111
N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
CID 146535079
2-(3-chlorophenyl)-2-propan-2-ylpiperidine
CID 115058678
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
N-methyl-1-(1-thiophen-2-ylcyclohexyl)ethanamine
CID 68673941
2-[1-(2-methylpropyl)cyclohexyl]thiophene
CID 121406244

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-thiophen-2-ylpiperidine?
The IUPAC name of 2-propan-2-yl-2-thiophen-2-ylpiperidine (CID 117271337) is 2-propan-2-yl-2-thiophen-2-ylpiperidine.
What is the SMILES notation for 2-propan-2-yl-2-thiophen-2-ylpiperidine?
The canonical SMILES for 2-propan-2-yl-2-thiophen-2-ylpiperidine is CC(C)C1(c2cccs2)CCCCN1.
What is the InChIKey of 2-propan-2-yl-2-thiophen-2-ylpiperidine?
The InChIKey is IUZFNDWYMNKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(2)12(7-3-4-8-13-12)11-6-5-9-14-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-thiophen-2-ylpiperidine?
2-propan-2-yl-2-thiophen-2-ylpiperidine has a molecular weight of 209.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-thiophen-2-ylpiperidine is sourced from PubChem (CID 117271337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).