1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one

C14H26N2O2 — CID 114228988

IUPAC1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCOC(C)(C)C(=O)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,18-3)13(17)6-7-15-8-10-16(11-9-15)12-4-5-12/h12H,4-11H2,1-3H3
InChIKeyIHGSQNLIKGYXDD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.15
Rot. Bonds6

About 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one

1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one (PubChem CID 114228988) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
PubChem CID114228988
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCOC(C)(C)C(=O)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,18-3)13(17)6-7-15-8-10-16(11-9-15)12-4-5-12/h12H,4-11H2,1-3H3
InChIKeyIHGSQNLIKGYXDD-UHFFFAOYSA-N
XLogP1.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one (CID 114228988) is 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one is COC(C)(C)C(=O)CCN1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
The InChIKey is IHGSQNLIKGYXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,18-3)13(17)6-7-15-8-10-16(11-9-15)12-4-5-12/h12H,4-11H2,1-3H3.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one?
1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one has a molecular weight of 254.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114228988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).