1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine

C14H17ClF2N2 — CID 63076892

IUPAC1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine
SMILESFc1cc(CCl)cc(F)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H17ClF2N2/c15-9-10-7-12(16)14(13(17)8-10)19-5-3-18(4-6-19)11-1-2-11/h7-8,11H,1-6,9H2
InChIKeyKSSYFZWPZGNVPG-UHFFFAOYSA-N
MW286.75 g/mol
LogP2.99
Rot. Bonds3

About 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine

1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine (PubChem CID 63076892) has the molecular formula C14H17ClF2N2 and a molecular weight of 286.75 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine
PubChem CID63076892
Molecular FormulaC14H17ClF2N2
Molecular Weight286.75 g/mol
Exact Mass286.10
IUPAC Name1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine
SMILESFc1cc(CCl)cc(F)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H17ClF2N2/c15-9-10-7-12(16)14(13(17)8-10)19-5-3-18(4-6-19)11-1-2-11/h7-8,11H,1-6,9H2
InChIKeyKSSYFZWPZGNVPG-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine?
The IUPAC name of 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine (CID 63076892) is 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine.
What is the SMILES notation for 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine?
The canonical SMILES for 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine is Fc1cc(CCl)cc(F)c1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine?
The InChIKey is KSSYFZWPZGNVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2/c15-9-10-7-12(16)14(13(17)8-10)19-5-3-18(4-6-19)11-1-2-11/h7-8,11H,1-6,9H2.
What are the key properties of 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine?
1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine has a molecular weight of 286.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-2,6-difluorophenyl]-4-cyclopropylpiperazine is sourced from PubChem (CID 63076892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).