[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine

C16H25N3O — CID 43608688

IUPAC[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
SMILESNCC1(N2CCN(c3ccccc3)CC2)CCOCC1
InChIInChI=1S/C16H25N3O/c17-14-16(6-12-20-13-7-16)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-5H,6-14,17H2
InChIKeyIKIDDZLFPJQJDF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.32
Rot. Bonds3

About [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine

[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine (PubChem CID 43608688) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
PubChem CID43608688
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
SMILESNCC1(N2CCN(c3ccccc3)CC2)CCOCC1
InChIInChI=1S/C16H25N3O/c17-14-16(6-12-20-13-7-16)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-5H,6-14,17H2
InChIKeyIKIDDZLFPJQJDF-UHFFFAOYSA-N
XLogP1.32
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine (CID 43608688) is [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine is NCC1(N2CCN(c3ccccc3)CC2)CCOCC1.
What is the InChIKey of [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine?
The InChIKey is IKIDDZLFPJQJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-14-16(6-12-20-13-7-16)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-5H,6-14,17H2.
What are the key properties of [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine?
[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 43608688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).