N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine

C15H22F2N2O — CID 43373385

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O/c1-11(18-12-7-9-19(2)10-8-12)13-5-3-4-6-14(13)20-15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyRICWAXDKZQNIRX-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.03
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine (PubChem CID 43373385) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
PubChem CID43373385
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O/c1-11(18-12-7-9-19(2)10-8-12)13-5-3-4-6-14(13)20-15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3
InChIKeyRICWAXDKZQNIRX-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
CID 103439093
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[1-[2-(difluoromethoxy)phenyl]ethyl]thian-3-amine
CID 55129593
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364151
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
CID 62977442
(1S)-1-cyclohexyl-N-[1-[2-(difluoromethoxy)phenyl]ethyl]ethanamine
CID 81390973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860740

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine (CID 43373385) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine is CC(NC1CCN(C)CC1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine?
The InChIKey is RICWAXDKZQNIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(18-12-7-9-19(2)10-8-12)13-5-3-4-6-14(13)20-15(16)17/h3-6,11-12,15,18H,7-10H2,1-2H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine has a molecular weight of 284.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43373385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).