N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine

C14H28N2O2 — CID 18001674

IUPACN-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine
SMILESCCCCOCCCCCN1CCC(=NO)CC1
InChIInChI=1S/C14H28N2O2/c1-2-3-12-18-13-6-4-5-9-16-10-7-14(15-17)8-11-16/h17H,2-13H2,1H3
InChIKeyVYPVKFKWIARFPK-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.90
Rot. Bonds9

About N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine

N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 18001674) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine
PubChem CID18001674
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine
SMILESCCCCOCCCCCN1CCC(=NO)CC1
InChIInChI=1S/C14H28N2O2/c1-2-3-12-18-13-6-4-5-9-16-10-7-14(15-17)8-11-16/h17H,2-13H2,1H3
InChIKeyVYPVKFKWIARFPK-UHFFFAOYSA-N
XLogP2.90
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butylpiperidin-4-ylidene)hydroxylamine
CID 18002055
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-(4-butoxybutyl)piperidin-4-one
CID 70278532
N-[1-[3-(dibutylamino)propyl]piperidin-4-ylidene]hydroxylamine
CID 18002145
1-(5-propoxypentyl)piperidin-4-one
CID 70277123
N-(1-butylpyrrolidin-3-ylidene)hydroxylamine
CID 131858556
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
N-[1-(3-fluoropropyl)piperidin-4-ylidene]hydroxylamine
CID 81106852
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-pentadecylpiperidin-4-one
CID 10267366
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine (CID 18001674) is N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine is CCCCOCCCCCN1CCC(=NO)CC1.
What is the InChIKey of N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is VYPVKFKWIARFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-12-18-13-6-4-5-9-16-10-7-14(15-17)8-11-16/h17H,2-13H2,1H3.
What are the key properties of N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 256.39 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-butoxypentyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 18001674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).