(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine

C11H23NO — CID 162785126

IUPAC(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@@H]1CCNC[C@H]1C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10-7-12-6-5-11(10)13-9(3)4/h8-12H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKeyALMUZZRXBIIIQA-WDEREUQCSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds3

About (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine

(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine (PubChem CID 162785126) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine
PubChem CID162785126
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@@H]1CCNC[C@H]1C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10-7-12-6-5-11(10)13-9(3)4/h8-12H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKeyALMUZZRXBIIIQA-WDEREUQCSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
CID 153444670
(3R,4S)-4-iodo-3-propan-2-ylpiperidine
CID 139491710
3-methyl-4-propan-2-ylpiperidine
CID 58394699
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
CID 96740148
3-propan-2-ylpiperidine-4-carboxylic acid
CID 82598426
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
N,N-dimethyl-4-propan-2-ylpiperidin-3-amine
CID 130002958
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
(3R,4R)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293919
(4S)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293813

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine?
The IUPAC name of (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine (CID 162785126) is (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine.
What is the SMILES notation for (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine?
The canonical SMILES for (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine is CC(C)O[C@@H]1CCNC[C@H]1C(C)C.
What is the InChIKey of (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine?
The InChIKey is ALMUZZRXBIIIQA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)10-7-12-6-5-11(10)13-9(3)4/h8-12H,5-7H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine?
(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 162785126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).