N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine

C14H20N2O2 — CID 18002226

IUPACN-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c17-15-13-7-10-16(11-8-13)9-4-12-18-14-5-2-1-3-6-14/h1-3,5-6,17H,4,7-12H2
InChIKeyJGIKLMHTZYLPCS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine

N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 18002226) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine
PubChem CID18002226
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c17-15-13-7-10-16(11-8-13)9-4-12-18-14-5-2-1-3-6-14/h1-3,5-6,17H,4,7-12H2
InChIKeyJGIKLMHTZYLPCS-UHFFFAOYSA-N
XLogP2.38
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
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

1-(4-hydroxyiminopiperidin-1-yl)-3-phenoxypropan-1-one
CID 24700835
1-(3-phenoxypropyl)piperazine
CID 2760351
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
N-(1-butylpiperidin-4-ylidene)hydroxylamine
CID 18002055

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine (CID 18002226) is N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is JGIKLMHTZYLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-15-13-7-10-16(11-8-13)9-4-12-18-14-5-2-1-3-6-14/h1-3,5-6,17H,4,7-12H2.
What are the key properties of N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 248.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenoxypropyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 18002226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).