(NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

C19H23N3O2 — CID 71492941

IUPAC(NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N3O2/c23-21-13-18-6-7-19(20-12-18)24-15-17-8-10-22(11-9-17)14-16-4-2-1-3-5-16/h1-7,12-13,17,23H,8-11,14-15H2/b21-13+
InChIKeyRCWHMXIVKWTKRN-FYJGNVAPSA-N
MW325.41 g/mol
LogP3.18
Rot. Bonds6

About (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 71492941) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID71492941
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N3O2/c23-21-13-18-6-7-19(20-12-18)24-15-17-8-10-22(11-9-17)14-16-4-2-1-3-5-16/h1-7,12-13,17,23H,8-11,14-15H2/b21-13+
InChIKeyRCWHMXIVKWTKRN-FYJGNVAPSA-N
XLogP3.18
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Florbetapir F-18
CID 24822371
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
2-Phenoxynicotinonitrile
CID 84242
4-(Benzyloxy)pyridine N-oxide
CID 295871
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
(6-Phenoxypyridin-3-yl)methanol
CID 2776502

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (CID 71492941) is (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is O/N=C/c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is RCWHMXIVKWTKRN-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-21-13-18-6-7-19(20-12-18)24-15-17-8-10-22(11-9-17)14-16-4-2-1-3-5-16/h1-7,12-13,17,23H,8-11,14-15H2/b21-13+.
What are the key properties of (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 325.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[6-[(1-benzylpiperidin-4-yl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 71492941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).