3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C15H31N3 — CID 134505388

IUPAC3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCN(C(C)C)CC2)CCN1
InChIInChI=1S/C15H31N3/c1-13(2)18-8-5-15(4,6-9-18)12-17-10-7-16-14(3)11-17/h13-14,16H,5-12H2,1-4H3
InChIKeyCRFYREGSNIVZRD-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine

3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 134505388) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID134505388
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC1CN(CC2(C)CCN(C(C)C)CC2)CCN1
InChIInChI=1S/C15H31N3/c1-13(2)18-8-5-15(4,6-9-18)12-17-10-7-16-14(3)11-17/h13-14,16H,5-12H2,1-4H3
InChIKeyCRFYREGSNIVZRD-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 134505388) is 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC1CN(CC2(C)CCN(C(C)C)CC2)CCN1.
What is the InChIKey of 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is CRFYREGSNIVZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)18-8-5-15(4,6-9-18)12-17-10-7-16-14(3)11-17/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 134505388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).