N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine

C13H15F3N2O — CID 141299861

IUPACN-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccccc2)CC1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-9-18(7-6-12(11)17-19)8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2
InChIKeyZJDFMZJTYQEBAP-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.90
Rot. Bonds2

About N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine

N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 141299861) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID141299861
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccccc2)CC1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-9-18(7-6-12(11)17-19)8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2
InChIKeyZJDFMZJTYQEBAP-UHFFFAOYSA-N
XLogP2.90
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.90
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

(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine
CID 139937819
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
(NE)-N-[(4E,8E,12S)-12-(4-benzylpiperazin-1-yl)cyclododeca-4,8-dien-1-ylidene]hydroxylamine
CID 98157270
(3R,4S)-1-benzyl-3-methylpiperidine-4-carbaldehyde
CID 87248357
(3R)-1-benzyl-3-bromopiperidin-4-one
CID 92975934
1-benzyl-3-methylpiperidin-4-one
CID 560965
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine (CID 141299861) is N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(Cc2ccccc2)CC1C(F)(F)F.
What is the InChIKey of N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is ZJDFMZJTYQEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)11-9-18(7-6-12(11)17-19)8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2.
What are the key properties of N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine?
N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 272.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-3-(trifluoromethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 141299861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).