[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine

C8H16F2N2 — CID 60922938

IUPAC[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2/c9-8(10)6-12-3-1-7(5-11)2-4-12/h7-8H,1-6,11H2
InChIKeyVRSDQEWRCJCHMH-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.92
Rot. Bonds3

About [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine

[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine (PubChem CID 60922938) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine
PubChem CID60922938
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2/c9-8(10)6-12-3-1-7(5-11)2-4-12/h7-8H,1-6,11H2
InChIKeyVRSDQEWRCJCHMH-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-methylamine
CID 81574
4-(Trifluoromethyl)piperidine
CID 136469
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
Dimethyl(2-(piperidin-4-yl)ethyl)amine
CID 1415681
4-(2-Diethylaminoethyl)piperidine
CID 296294
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902
[1-(3-Methylbutyl)piperidin-4-yl]methanamine
CID 24274890
(1-Ethylpiperidin-4-yl)methanamine
CID 2794704
(1-Propylpiperidin-4-yl)methanamine
CID 3164324
4-(4-Methylpiperidin-1-yl)butan-1-amine
CID 7138415
4-Aminomethyl-1-N-butylpiperidine
CID 10442133
4-(Dimethylaminomethyl)piperidine
CID 11137268

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine (CID 60922938) is [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine is NCC1CCN(CC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine?
The InChIKey is VRSDQEWRCJCHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c9-8(10)6-12-3-1-7(5-11)2-4-12/h7-8H,1-6,11H2.
What are the key properties of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine?
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine has a molecular weight of 178.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 60922938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).