(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine

C22H34ClN3O — CID 6158664

IUPAC(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
SMILESO/N=C1/CCCCCCCCCCC1N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H34ClN3O/c23-19-11-9-10-13-21(19)25-15-17-26(18-16-25)22-14-8-6-4-2-1-3-5-7-12-20(22)24-27/h9-11,13,22,27H,1-8,12,14-18H2/b24-20-
InChIKeyXNOULDUJRSBNPK-GFMRDNFCSA-N
MW391.99 g/mol
LogP5.58
Rot. Bonds2

About (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine

(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine (PubChem CID 6158664) has the molecular formula C22H34ClN3O and a molecular weight of 391.99 g/mol. Its IUPAC name is (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
PubChem CID6158664
Molecular FormulaC22H34ClN3O
Molecular Weight391.99 g/mol
Exact Mass391.24
IUPAC Name(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
SMILESO/N=C1/CCCCCCCCCCC1N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H34ClN3O/c23-19-11-9-10-13-21(19)25-15-17-26(18-16-25)22-14-8-6-4-2-1-3-5-7-12-20(22)24-27/h9-11,13,22,27H,1-8,12,14-18H2/b24-20-
InChIKeyXNOULDUJRSBNPK-GFMRDNFCSA-N
XLogP5.58
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.99
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine (CID 6158664) is (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine is O/N=C1/CCCCCCCCCCC1N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine?
The InChIKey is XNOULDUJRSBNPK-GFMRDNFCSA-N. The full InChI is InChI=1S/C22H34ClN3O/c23-19-11-9-10-13-21(19)25-15-17-26(18-16-25)22-14-8-6-4-2-1-3-5-7-12-20(22)24-27/h9-11,13,22,27H,1-8,12,14-18H2/b24-20-.
What are the key properties of (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine?
(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine has a molecular weight of 391.99 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine is sourced from PubChem (CID 6158664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).