(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine

C16H24N2O3 — CID 114501023

IUPAC(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCCOc1ccccc1OCCN1CC/C(=N/O)C(C)C1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-6-4-5-7-16(15)21-11-10-18-9-8-14(17-19)13(2)12-18/h4-7,13,19H,3,8-12H2,1-2H3/b17-14-
InChIKeyWOEAUHKMOCRPDV-VKAVYKQESA-N
MW292.38 g/mol
LogP2.64
Rot. Bonds6

About (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine

(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 114501023) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID114501023
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCCOc1ccccc1OCCN1CC/C(=N/O)C(C)C1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-6-4-5-7-16(15)21-11-10-18-9-8-14(17-19)13(2)12-18/h4-7,13,19H,3,8-12H2,1-2H3/b17-14-
InChIKeyWOEAUHKMOCRPDV-VKAVYKQESA-N
XLogP2.64
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.64
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

4-chloro-1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidine
CID 114682320
3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
CID 114800481
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77073403
3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
CID 104931033
(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 104930954
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
(3S,4S)-1-[2-(2-ethylphenoxy)ethyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135099672

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine (CID 114501023) is (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine is CCOc1ccccc1OCCN1CC/C(=N/O)C(C)C1.
What is the InChIKey of (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is WOEAUHKMOCRPDV-VKAVYKQESA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-15-6-4-5-7-16(15)21-11-10-18-9-8-14(17-19)13(2)12-18/h4-7,13,19H,3,8-12H2,1-2H3/b17-14-.
What are the key properties of (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 292.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114501023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).