(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine

C13H27N — CID 164786402

IUPAC(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC[C@@H](CC(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-11(2)14-8-6-7-12(10-14)9-13(3,4)5/h11-12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyJMLXZVXVROUBLT-LBPRGKRZSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds2

About (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine

(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine (PubChem CID 164786402) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
PubChem CID164786402
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC[C@@H](CC(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-11(2)14-8-6-7-12(10-14)9-13(3,4)5/h11-12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyJMLXZVXVROUBLT-LBPRGKRZSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
3-(2,2-dimethylpropyl)piperidin-1-amine
CID 155330418
O-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]hydroxylamine
CID 117126792
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine
CID 146388853
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
CID 88983075

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine?
The IUPAC name of (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine (CID 164786402) is (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine?
The canonical SMILES for (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine is CC(C)N1CCC[C@@H](CC(C)(C)C)C1.
What is the InChIKey of (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine?
The InChIKey is JMLXZVXVROUBLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)14-8-6-7-12(10-14)9-13(3,4)5/h11-12H,6-10H2,1-5H3/t12-/m0/s1.
What are the key properties of (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine?
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 164786402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).