[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone

C17H24ClN3O2 — CID 120937744

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(c3ccccc3Cl)CC2)CCOCC1
InChIInChI=1S/C17H24ClN3O2/c18-14-3-1-2-4-15(14)20-7-9-21(10-8-20)16(22)17(13-19)5-11-23-12-6-17/h1-4H,5-13,19H2
InChIKeyBZCIOCSLIBDQFX-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.74
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 120937744) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
PubChem CID120937744
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(c3ccccc3Cl)CC2)CCOCC1
InChIInChI=1S/C17H24ClN3O2/c18-14-3-1-2-4-15(14)20-7-9-21(10-8-20)16(22)17(13-19)5-11-23-12-6-17/h1-4H,5-13,19H2
InChIKeyBZCIOCSLIBDQFX-UHFFFAOYSA-N
XLogP1.74
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone (CID 120937744) is [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is NCC1(C(=O)N2CCN(c3ccccc3Cl)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is BZCIOCSLIBDQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-14-3-1-2-4-15(14)20-7-9-21(10-8-20)16(22)17(13-19)5-11-23-12-6-17/h1-4H,5-13,19H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 337.85 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120937744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).