(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine

C23H29FN4O2 — CID 56665903

IUPAC(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1OCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O2/c24-19-8-10-20(11-9-19)27-13-15-28(16-14-27)22(26-29)21-7-4-12-25-23(21)30-17-18-5-2-1-3-6-18/h4,7-12,18,29H,1-3,5-6,13-17H2/b26-22-
InChIKeyHGATVRWNXXUBIE-ROMGYVFFSA-N
MW412.51 g/mol
LogP4.14
Rot. Bonds5

About (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine

(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine (PubChem CID 56665903) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine
PubChem CID56665903
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1OCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O2/c24-19-8-10-20(11-9-19)27-13-15-28(16-14-27)22(26-29)21-7-4-12-25-23(21)30-17-18-5-2-1-3-6-18/h4,7-12,18,29H,1-3,5-6,13-17H2/b26-22-
InChIKeyHGATVRWNXXUBIE-ROMGYVFFSA-N
XLogP4.14
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine (CID 56665903) is (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine is O/N=C(/c1cccnc1OCC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine?
The InChIKey is HGATVRWNXXUBIE-ROMGYVFFSA-N. The full InChI is InChI=1S/C23H29FN4O2/c24-19-8-10-20(11-9-19)27-13-15-28(16-14-27)22(26-29)21-7-4-12-25-23(21)30-17-18-5-2-1-3-6-18/h4,7-12,18,29H,1-3,5-6,13-17H2/b26-22-.
What are the key properties of (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine?
(NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine has a molecular weight of 412.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(cyclohexylmethoxy)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 56665903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).