N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine

C10H16N4O — CID 82865579

IUPACN-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCn1ccc(CN2CCC(=NO)CC2)n1
InChIInChI=1S/C10H16N4O/c1-13-5-2-10(11-13)8-14-6-3-9(12-15)4-7-14/h2,5,15H,3-4,6-8H2,1H3
InChIKeyZOLCFAXDQSHRRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.85
Rot. Bonds2

About N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine

N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 82865579) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
PubChem CID82865579
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCn1ccc(CN2CCC(=NO)CC2)n1
InChIInChI=1S/C10H16N4O/c1-13-5-2-10(11-13)8-14-6-3-9(12-15)4-7-14/h2,5,15H,3-4,6-8H2,1H3
InChIKeyZOLCFAXDQSHRRA-UHFFFAOYSA-N
XLogP0.85
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.85
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

N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide
CID 82865429
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine
CID 82866697
[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
CID 82876865
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707
2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile
CID 82867144
4-(1-bromoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 106838232
1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine
CID 82871073
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine (CID 82865579) is N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine is Cn1ccc(CN2CCC(=NO)CC2)n1.
What is the InChIKey of N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is ZOLCFAXDQSHRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-5-2-10(11-13)8-14-6-3-9(12-15)4-7-14/h2,5,15H,3-4,6-8H2,1H3.
What are the key properties of N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 208.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 82865579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).