N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

C12H20F2N2O — CID 114224136

IUPACN-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCC1CN(CC2CCC(F)(F)C2)CCC1=NO
InChIInChI=1S/C12H20F2N2O/c1-9-7-16(5-3-11(9)15-17)8-10-2-4-12(13,14)6-10/h9-10,17H,2-8H2,1H3
InChIKeyZXTWXLNLMROHKN-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.59
Rot. Bonds2

About N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine

N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (PubChem CID 114224136) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
PubChem CID114224136
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC NameN-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
SMILESCC1CN(CC2CCC(F)(F)C2)CCC1=NO
InChIInChI=1S/C12H20F2N2O/c1-9-7-16(5-3-11(9)15-17)8-10-2-4-12(13,14)6-10/h9-10,17H,2-8H2,1H3
InChIKeyZXTWXLNLMROHKN-UHFFFAOYSA-N
XLogP2.59
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-methyl-1-(2-methylpentyl)piperidin-4-ylidene]hydroxylamine
CID 104931046
N-(1,3-dimethylpiperidin-4-ylidene)hydroxylamine
CID 3325353
N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 104930954
[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine
CID 114224164
1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114224333
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
CID 114224380
(NE)-N-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501083
cyclopropyl-[4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-1-yl]methanone
CID 100765989
N-(1-cyclopentyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104930985
N-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 104931022
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine
CID 130878255

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine (CID 114224136) is N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is CC1CN(CC2CCC(F)(F)C2)CCC1=NO.
What is the InChIKey of N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is ZXTWXLNLMROHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-9-7-16(5-3-11(9)15-17)8-10-2-4-12(13,14)6-10/h9-10,17H,2-8H2,1H3.
What are the key properties of N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine?
N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 246.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 114224136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).