(NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C19H26N2O — CID 98156681

IUPAC(NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESO/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O/c22-20-18-16-6-7-17(13-16)19(18)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-5,15-17,19,22H,6-13H2/b20-18+/t16-,17+,19-/m0/s1
InChIKeyGIXGRJSQBBRWLF-NZSFZNFWSA-N
MW298.43 g/mol
LogP3.57
Rot. Bonds3

About (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 98156681) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID98156681
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESO/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O/c22-20-18-16-6-7-17(13-16)19(18)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-5,15-17,19,22H,6-13H2/b20-18+/t16-,17+,19-/m0/s1
InChIKeyGIXGRJSQBBRWLF-NZSFZNFWSA-N
XLogP3.57
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.57
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

4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methoxypiperidine
CID 146666995
cyclopropylmethylbenzene;ethane;methane
CID 142248267
4-benzyl-1-methylazepane
CID 123177845
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
4-benzyl-1-(6-methylpiperidin-3-yl)piperidine
CID 63158209
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
CID 162283808
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
CID 58110987

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 98156681) is (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is GIXGRJSQBBRWLF-NZSFZNFWSA-N. The full InChI is InChI=1S/C19H26N2O/c22-20-18-16-6-7-17(13-16)19(18)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-5,15-17,19,22H,6-13H2/b20-18+/t16-,17+,19-/m0/s1.
What are the key properties of (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 298.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S,3S,4R)-3-(4-benzylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 98156681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).