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

C14H21F2N3 — CID 83011833

IUPAC1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H21F2N3/c15-14(16)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
InChIKeyMCYVEZGZYICZHI-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.61
Rot. Bonds5

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

1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine (PubChem CID 83011833) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
PubChem CID83011833
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H21F2N3/c15-14(16)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
InChIKeyMCYVEZGZYICZHI-UHFFFAOYSA-N
XLogP2.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-1-yl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 83011231
1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011708
1-[4-(2-methylpropyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011721
1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524319
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83017210
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83011013
4-[1-(piperidin-1-ylamino)propyl]phenol
CID 83006476
1-(1,3-benzodioxol-5-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83015045
N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011001
1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine
CID 83011948
N-butan-2-yl-1-[4-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115524378

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine (CID 83011833) is 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine is NCC(NN1CCCCC1)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
The InChIKey is MCYVEZGZYICZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c15-14(16)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-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine?
1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine has a molecular weight of 269.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine is sourced from PubChem (CID 83011833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).