1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine

C15H22F2N2O2 — CID 79874611

IUPAC1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)C2)ccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-10-8-19(6-5-12(10)18)9-11-3-4-13(21-15(16)17)14(7-11)20-2/h3-4,7,10,12,15H,5-6,8-9,18H2,1-2H3
InChIKeyIUPKUKROJYVQEP-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.47
Rot. Bonds5

About 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine (PubChem CID 79874611) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine
PubChem CID79874611
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine
SMILESCOc1cc(CN2CCC(N)C(C)C2)ccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-10-8-19(6-5-12(10)18)9-11-3-4-13(21-15(16)17)14(7-11)20-2/h3-4,7,10,12,15H,5-6,8-9,18H2,1-2H3
InChIKeyIUPKUKROJYVQEP-UHFFFAOYSA-N
XLogP2.47
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263935
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975538
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpyrrolidin-3-amine
CID 115299969
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
(3aS,6aR)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660864
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylpiperazine
CID 63862972
1-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967904
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608
1-[(2S)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 97199210
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 62993484
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine (CID 79874611) is 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine is COc1cc(CN2CCC(N)C(C)C2)ccc1OC(F)F.
What is the InChIKey of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine?
The InChIKey is IUPKUKROJYVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10-8-19(6-5-12(10)18)9-11-3-4-13(21-15(16)17)14(7-11)20-2/h3-4,7,10,12,15H,5-6,8-9,18H2,1-2H3.
What are the key properties of 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine?
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine has a molecular weight of 300.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79874611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).