1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

C20H30F2N2O3 — CID 119129341

IUPAC1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCOc1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1OC(F)F
InChIInChI=1S/C20H30F2N2O3/c1-25-18-13-16(5-6-17(18)27-19(21)22)14-23-15-20(7-11-26-12-8-20)24-9-3-2-4-10-24/h5-6,13,19,23H,2-4,7-12,14-15H2,1H3
InChIKeyPVVBZVFEXVZBEH-UHFFFAOYSA-N
MW384.47 g/mol
LogP3.42
Rot. Bonds8

About 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (PubChem CID 119129341) has the molecular formula C20H30F2N2O3 and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
PubChem CID119129341
Molecular FormulaC20H30F2N2O3
Molecular Weight384.47 g/mol
Exact Mass384.22
IUPAC Name1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCOc1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1OC(F)F
InChIInChI=1S/C20H30F2N2O3/c1-25-18-13-16(5-6-17(18)27-19(21)22)14-23-15-20(7-11-26-12-8-20)24-9-3-2-4-10-24/h5-6,13,19,23H,2-4,7-12,14-15H2,1H3
InChIKeyPVVBZVFEXVZBEH-UHFFFAOYSA-N
XLogP3.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129234
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129181
2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 45354772
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735580
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
1-(3-methoxy-4-propan-2-yloxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957485
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957879
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
CID 83323480
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (CID 119129341) is 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is COc1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The InChIKey is PVVBZVFEXVZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N2O3/c1-25-18-13-16(5-6-17(18)27-19(21)22)14-23-15-20(7-11-26-12-8-20)24-9-3-2-4-10-24/h5-6,13,19,23H,2-4,7-12,14-15H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine has a molecular weight of 384.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 119129341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).