1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine

C14H29N3 — CID 117020804

IUPAC1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCNC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)16-7-9-17(10-8-16)13-5-6-15-14(3,4)11-13/h12-13,15H,5-11H2,1-4H3
InChIKeyXVTPOTHPBJOHQW-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds2

About 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine

1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine (PubChem CID 117020804) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine
PubChem CID117020804
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCNC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)16-7-9-17(10-8-16)13-5-6-15-14(3,4)11-13/h12-13,15H,5-11H2,1-4H3
InChIKeyXVTPOTHPBJOHQW-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine (CID 117020804) is 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CCNC(C)(C)C2)CC1.
What is the InChIKey of 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine?
The InChIKey is XVTPOTHPBJOHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)16-7-9-17(10-8-16)13-5-6-15-14(3,4)11-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine?
1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperidin-4-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 117020804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).