cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone

C16H20F2N2O — CID 43434746

IUPACcyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2N2O/c17-14-4-1-11(9-15(14)18)10-19-13-5-7-20(8-6-13)16(21)12-2-3-12/h1,4,9,12-13,19H,2-3,5-8,10H2
InChIKeyFZKDHUNVZJGHFU-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.46
Rot. Bonds4

About cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone (PubChem CID 43434746) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
PubChem CID43434746
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Namecyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H20F2N2O/c17-14-4-1-11(9-15(14)18)10-19-13-5-7-20(8-6-13)16(21)12-2-3-12/h1,4,9,12-13,19H,2-3,5-8,10H2
InChIKeyFZKDHUNVZJGHFU-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
(4-cyclopentylpiperazin-1-yl)-[4-[(4-fluorophenyl)methylamino]cyclohexyl]methanone
CID 68596788
cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 56827303
[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568
2-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3,4-difluorophenyl)propanamide
CID 155900097

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone (CID 43434746) is cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone?
The InChIKey is FZKDHUNVZJGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-14-4-1-11(9-15(14)18)10-19-13-5-7-20(8-6-13)16(21)12-2-3-12/h1,4,9,12-13,19H,2-3,5-8,10H2.
What are the key properties of cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone has a molecular weight of 294.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 43434746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).