1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine

C14H21F2N3O — CID 83011708

IUPAC1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H21F2N3O/c15-14(16)20-12-6-4-11(5-7-12)13(10-17)18-19-8-2-1-3-9-19/h4-7,13-14,18H,1-3,8-10,17H2
InChIKeyOHLVUROOXXQRHX-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.28
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine

1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine (PubChem CID 83011708) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
PubChem CID83011708
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H21F2N3O/c15-14(16)20-12-6-4-11(5-7-12)13(10-17)18-19-8-2-1-3-9-19/h4-7,13-14,18H,1-3,8-10,17H2
InChIKeyOHLVUROOXXQRHX-UHFFFAOYSA-N
XLogP2.28
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011833
N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 83011231
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83010902
1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383717
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352
1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
CID 16793435
N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83011013
2-[4-(difluoromethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine
CID 43581264
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
4-[1-(piperidin-1-ylamino)propyl]phenol
CID 83006476

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine (CID 83011708) is 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine is NCC(NN1CCCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The InChIKey is OHLVUROOXXQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c15-14(16)20-12-6-4-11(5-7-12)13(10-17)18-19-8-2-1-3-9-19/h4-7,13-14,18H,1-3,8-10,17H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine has a molecular weight of 285.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine is sourced from PubChem (CID 83011708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).