N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine

C11H15N3O2 — CID 106503919

IUPACN-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(N2CCC(=NO)CC2)nc1
InChIInChI=1S/C11H15N3O2/c1-16-10-2-3-11(12-8-10)14-6-4-9(13-15)5-7-14/h2-3,8,15H,4-7H2,1H3
InChIKeyBQVNBHLIXDUJEO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.52
Rot. Bonds2

About N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine

N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 106503919) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine
PubChem CID106503919
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine
SMILESCOc1ccc(N2CCC(=NO)CC2)nc1
InChIInChI=1S/C11H15N3O2/c1-16-10-2-3-11(12-8-10)14-6-4-9(13-15)5-7-14/h2-3,8,15H,4-7H2,1H3
InChIKeyBQVNBHLIXDUJEO-UHFFFAOYSA-N
XLogP1.52
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.52
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

1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
2-(3-ethylazetidin-1-yl)-5-methoxypyridine
CID 154695178
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 106504669
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
2-(3-bromopiperidin-1-yl)-5-methoxypyridine
CID 106505131
3-ethyl-1-(5-methoxy-2-pyridinyl)azetidin-3-amine
CID 106505258
(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136547051
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine (CID 106503919) is N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine is COc1ccc(N2CCC(=NO)CC2)nc1.
What is the InChIKey of N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is BQVNBHLIXDUJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-10-2-3-11(12-8-10)14-6-4-9(13-15)5-7-14/h2-3,8,15H,4-7H2,1H3.
What are the key properties of N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 106503919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).