(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine

C11H23NO — CID 167001762

IUPAC(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine
SMILESCCN1CC[C@H](OC(C)C)C[C@@H]1C
InChIInChI=1S/C11H23NO/c1-5-12-7-6-11(8-10(12)4)13-9(2)3/h9-11H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyKHDHVLGBHQBFHW-QWRGUYRKSA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds3

About (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine

(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine (PubChem CID 167001762) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine
PubChem CID167001762
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine
SMILESCCN1CC[C@H](OC(C)C)C[C@@H]1C
InChIInChI=1S/C11H23NO/c1-5-12-7-6-11(8-10(12)4)13-9(2)3/h9-11H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyKHDHVLGBHQBFHW-QWRGUYRKSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,4,5-trimethylazepane
CID 118247359
N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
CID 115705729
(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine
CID 154605097
1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
CID 115887559
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
2-methyl-1-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
CID 165136775
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342
1-(1-fluorobutan-2-yl)-4-propan-2-yloxypiperidine
CID 167661004
(2R)-1-ethyl-2-(propan-2-yloxymethyl)azetidine
CID 154980113
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009745
N-cyclohexyl-1-ethyl-2-methylpiperidin-4-amine
CID 115654044

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine?
The IUPAC name of (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine (CID 167001762) is (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine.
What is the SMILES notation for (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine?
The canonical SMILES for (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine is CCN1CC[C@H](OC(C)C)C[C@@H]1C.
What is the InChIKey of (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine?
The InChIKey is KHDHVLGBHQBFHW-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-12-7-6-11(8-10(12)4)13-9(2)3/h9-11H,5-8H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine?
(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 167001762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).