3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine

C19H40N2 — CID 170616755

IUPAC3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C)CC1.CC1CCN(C(C)C)CC1C
InChIInChI=1S/C10H21N.C9H19N/c1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)9-4-6-10(3)7-5-9/h8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyXLJYXNYTWXKDEO-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.36
Rot. Bonds2

About 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine

3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine (PubChem CID 170616755) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
PubChem CID170616755
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C)CC1.CC1CCN(C(C)C)CC1C
InChIInChI=1S/C10H21N.C9H19N/c1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)9-4-6-10(3)7-5-9/h8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyXLJYXNYTWXKDEO-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
1,4-di(propan-2-yl)piperidine
CID 21303253
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
(4R)-1,4,5-trimethylazepane
CID 89169089
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
1,3,4-trimethylpiperidine
CID 14454423
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
ethane;1,3,4-trimethylpiperidine
CID 142222872

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine (CID 170616755) is 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine is CC(C)C1CCN(C)CC1.CC1CCN(C(C)C)CC1C.
What is the InChIKey of 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
The InChIKey is XLJYXNYTWXKDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19N/c1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)9-4-6-10(3)7-5-9/h8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine?
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine has a molecular weight of 296.54 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 170616755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).