1,4-dimethyl-4-propan-2-ylpiperidine;ethane

C12H27N — CID 142456453

IUPAC1,4-dimethyl-4-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)C1(C)CCN(C)CC1
InChIInChI=1S/C10H21N.C2H6/c1-9(2)10(3)5-7-11(4)8-6-10;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyWFRFLOKLHDLAOT-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds1

About 1,4-dimethyl-4-propan-2-ylpiperidine;ethane

1,4-dimethyl-4-propan-2-ylpiperidine;ethane (PubChem CID 142456453) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 1,4-dimethyl-4-propan-2-ylpiperidine;ethane.

Molecular Properties

Compound Name1,4-dimethyl-4-propan-2-ylpiperidine;ethane
PubChem CID142456453
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name1,4-dimethyl-4-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)C1(C)CCN(C)CC1
InChIInChI=1S/C10H21N.C2H6/c1-9(2)10(3)5-7-11(4)8-6-10;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyWFRFLOKLHDLAOT-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4-propan-2-ylpiperidine;ethane?
The IUPAC name of 1,4-dimethyl-4-propan-2-ylpiperidine;ethane (CID 142456453) is 1,4-dimethyl-4-propan-2-ylpiperidine;ethane.
What is the SMILES notation for 1,4-dimethyl-4-propan-2-ylpiperidine;ethane?
The canonical SMILES for 1,4-dimethyl-4-propan-2-ylpiperidine;ethane is CC.CC(C)C1(C)CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-4-propan-2-ylpiperidine;ethane?
The InChIKey is WFRFLOKLHDLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-9(2)10(3)5-7-11(4)8-6-10;1-2/h9H,5-8H2,1-4H3;1-2H3.
What are the key properties of 1,4-dimethyl-4-propan-2-ylpiperidine;ethane?
1,4-dimethyl-4-propan-2-ylpiperidine;ethane has a molecular weight of 185.35 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4-propan-2-ylpiperidine;ethane is sourced from PubChem (CID 142456453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).