N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine

C14H26F2N2 — CID 129084034

IUPACN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NCCN1CCC(F)(F)CC1
InChIInChI=1S/C14H26F2N2/c1-12(11-13(2,3)4)17-7-10-18-8-5-14(15,16)6-9-18/h17H,1,5-11H2,2-4H3
InChIKeyRIODXROUDQSWPA-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine (PubChem CID 129084034) has the molecular formula C14H26F2N2 and a molecular weight of 260.37 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
PubChem CID129084034
Molecular FormulaC14H26F2N2
Molecular Weight260.37 g/mol
Exact Mass260.21
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NCCN1CCC(F)(F)CC1
InChIInChI=1S/C14H26F2N2/c1-12(11-13(2,3)4)17-7-10-18-8-5-14(15,16)6-9-18/h17H,1,5-11H2,2-4H3
InChIKeyRIODXROUDQSWPA-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine
CID 139448771
(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine
CID 153337127
N-(3,3-difluorobut-1-en-2-yl)-5-methylpiperidin-3-amine
CID 169691394
3-(3,3-Difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine
CID 170214625
1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine
CID 174329365
N-but-1-en-2-yl-5-(trifluoromethyl)piperidin-3-amine
CID 142586354
2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine
CID 158979568
1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine
CID 177031717
1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine
CID 177032435
1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine
CID 177033066
1-[1-(2,2-difluoroethyl)-4-methylpiperidin-4-yl]-N-ethylethenamine
CID 177033114

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine (CID 129084034) is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine is C=C(CC(C)(C)C)NCCN1CCC(F)(F)CC1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine?
The InChIKey is RIODXROUDQSWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2/c1-12(11-13(2,3)4)17-7-10-18-8-5-14(15,16)6-9-18/h17H,1,5-11H2,2-4H3.
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine?
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine has a molecular weight of 260.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine is sourced from PubChem (CID 129084034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).