1-(2-deuteriopropan-2-yl)piperidine

C8H17N — CID 141005811

IUPAC1-(2-deuteriopropan-2-yl)piperidine
SMILES[2H]C(C)(C)N1CCCCC1
InChIInChI=1S/C8H17N/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3/i8D
InChIKeyKXIXHISTUVHOCY-BNEYPBHNSA-N
MW128.24 g/mol
LogP1.88
Rot. Bonds1

About 1-(2-deuteriopropan-2-yl)piperidine

1-(2-deuteriopropan-2-yl)piperidine (PubChem CID 141005811) has the molecular formula C8H17N and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-(2-deuteriopropan-2-yl)piperidine.

Molecular Properties

Compound Name1-(2-deuteriopropan-2-yl)piperidine
PubChem CID141005811
Molecular FormulaC8H17N
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Name1-(2-deuteriopropan-2-yl)piperidine
SMILES[2H]C(C)(C)N1CCCCC1
InChIInChI=1S/C8H17N/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3/i8D
InChIKeyKXIXHISTUVHOCY-BNEYPBHNSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
(1S)-1-piperidin-1-ylethanol
CID 86312531
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
1-[1-(1-piperidin-1-ylethoxy)ethyl]piperidine
CID 19822700
ethane;1-(1-fluoroethyl)piperidine
CID 162429283
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuteriopropan-2-yl)piperidine?
The IUPAC name of 1-(2-deuteriopropan-2-yl)piperidine (CID 141005811) is 1-(2-deuteriopropan-2-yl)piperidine.
What is the SMILES notation for 1-(2-deuteriopropan-2-yl)piperidine?
The canonical SMILES for 1-(2-deuteriopropan-2-yl)piperidine is [2H]C(C)(C)N1CCCCC1.
What is the InChIKey of 1-(2-deuteriopropan-2-yl)piperidine?
The InChIKey is KXIXHISTUVHOCY-BNEYPBHNSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3/i8D.
What are the key properties of 1-(2-deuteriopropan-2-yl)piperidine?
1-(2-deuteriopropan-2-yl)piperidine has a molecular weight of 128.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuteriopropan-2-yl)piperidine is sourced from PubChem (CID 141005811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).