N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine

C24H31ClN2O — CID 88690472

IUPACN-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine
SMILESON=C(CCCc1ccccc1CCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H31ClN2O/c25-23-15-13-22(14-16-23)24(26-28)12-6-10-20-8-2-3-9-21(20)11-7-19-27-17-4-1-5-18-27/h2-3,8-9,13-16,28H,1,4-7,10-12,17-19H2
InChIKeyZIZXHLGPWSVGNQ-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.96
Rot. Bonds9

About N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine

N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine (PubChem CID 88690472) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine
PubChem CID88690472
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC NameN-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine
SMILESON=C(CCCc1ccccc1CCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H31ClN2O/c25-23-15-13-22(14-16-23)24(26-28)12-6-10-20-8-2-3-9-21(20)11-7-19-27-17-4-1-5-18-27/h2-3,8-9,13-16,28H,1,4-7,10-12,17-19H2
InChIKeyZIZXHLGPWSVGNQ-UHFFFAOYSA-N
XLogP5.96
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
CID 88690191
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
2-(3-pyrrolidin-1-ylpropyl)naphthalen-1-ol
CID 15617933
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
CID 173415956
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 173415993
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
3-piperidin-1-ylpropyl (1E)-2-chloro-N-hydroxybenzenecarboximidothioate chloride
CID 21238809
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
1-[2-[[2-(4-chlorophenyl)phenyl]methoxy]ethyl]piperidine;hydrochloride
CID 90150517

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine?
The IUPAC name of N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine (CID 88690472) is N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine is ON=C(CCCc1ccccc1CCCN1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine?
The InChIKey is ZIZXHLGPWSVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c25-23-15-13-22(14-16-23)24(26-28)12-6-10-20-8-2-3-9-21(20)11-7-19-27-17-4-1-5-18-27/h2-3,8-9,13-16,28H,1,4-7,10-12,17-19H2.
What are the key properties of N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine?
N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine has a molecular weight of 398.98 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine is sourced from PubChem (CID 88690472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).