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

C15H24N4O — CID 64784735

IUPACN-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H24N4O/c20-17-13-6-9-18(10-7-13)12-14-8-11-19(16-14)15-4-2-1-3-5-15/h8,11,15,20H,1-7,9-10,12H2
InChIKeyQUYRYDGRBVVPDI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.81
Rot. Bonds3

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

N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 64784735) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
PubChem CID64784735
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H24N4O/c20-17-13-6-9-18(10-7-13)12-14-8-11-19(16-14)15-4-2-1-3-5-15/h8,11,15,20H,1-7,9-10,12H2
InChIKeyQUYRYDGRBVVPDI-UHFFFAOYSA-N
XLogP2.81
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.81
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

(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 82865579
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine (CID 64784735) is N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine is ON=C1CCN(Cc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is QUYRYDGRBVVPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-17-13-6-9-18(10-7-13)12-14-8-11-19(16-14)15-4-2-1-3-5-15/h8,11,15,20H,1-7,9-10,12H2.
What are the key properties of N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine?
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 276.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 64784735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).