(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine

C14H20F2N2 — CID 123881999

IUPAC(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCC(F)(F)CC1
InChIInChI=1S/C14H20F2N2/c15-14(16)7-9-18(10-8-14)11-12-5-3-1-2-4-6-13(12)17/h1,3,5,17H,2,4,6-11H2/b3-1?,12-5-,17-13+
InChIKeyHVONUORXRIFNBX-PULZHQFKSA-N
MW254.32 g/mol
LogP3.40
Rot. Bonds2

About (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine

(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine (PubChem CID 123881999) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
PubChem CID123881999
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CCC(F)(F)CC1
InChIInChI=1S/C14H20F2N2/c15-14(16)7-9-18(10-8-14)11-12-5-3-1-2-4-6-13(12)17/h1,3,5,17H,2,4,6-11H2/b3-1?,12-5-,17-13+
InChIKeyHVONUORXRIFNBX-PULZHQFKSA-N
XLogP3.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine
CID 144984119
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
CID 123494969
4-[(4-Methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123720024
(2Z)-2-(piperidin-1-ylmethyl)cycloocta-2,4-dien-1-imine
CID 124006917

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine (CID 123881999) is (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine is [H]/N=C1CCCC=C/C=C\1CN1CCC(F)(F)CC1.
What is the InChIKey of (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The InChIKey is HVONUORXRIFNBX-PULZHQFKSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-14(16)7-9-18(10-8-14)11-12-5-3-1-2-4-6-13(12)17/h1,3,5,17H,2,4,6-11H2/b3-1?,12-5-,17-13+.
What are the key properties of (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine has a molecular weight of 254.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine is sourced from PubChem (CID 123881999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).