N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine

C12H24N2O2 — CID 104931540

IUPACN-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCOC(C)C)CCC1=NO
InChIInChI=1S/C12H24N2O2/c1-4-11-9-14(6-5-12(11)13-15)7-8-16-10(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyGYCQQLYMSZRLLX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.97
Rot. Bonds5

About N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104931540) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID104931540
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CCOC(C)C)CCC1=NO
InChIInChI=1S/C12H24N2O2/c1-4-11-9-14(6-5-12(11)13-15)7-8-16-10(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyGYCQQLYMSZRLLX-UHFFFAOYSA-N
XLogP1.97
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,4-dimethylpentyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 114200257
N-[3-ethyl-1-(1-methoxypropan-2-yl)piperidin-4-ylidene]hydroxylamine
CID 104931468
(NE)-N-[3-ethyl-1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102881422
(NE)-N-[3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102876942
(NE)-N-[3-ethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114509597
3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
CID 114508865
(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501023
N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide
CID 104931466
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
N,3-diethyl-4-hydroxyimino-N-methylpiperidine-1-carboxamide
CID 104931321
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
N-(1-decyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104931044

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine (CID 104931540) is N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine is CCC1CN(CCOC(C)C)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is GYCQQLYMSZRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-11-9-14(6-5-12(11)13-15)7-8-16-10(2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 228.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(2-propan-2-yloxyethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).