1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine

C14H25F3N2 — CID 177032435

IUPAC1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C(C)(F)F)CCN(CC(C)F)CC1
InChIInChI=1S/C14H25F3N2/c1-5-18-12(3)14(13(4,16)17)6-8-19(9-7-14)10-11(2)15/h11,18H,3,5-10H2,1-2,4H3
InChIKeyQDDBECQAERPCAO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine

1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine (PubChem CID 177032435) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine
PubChem CID177032435
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C(C)(F)F)CCN(CC(C)F)CC1
InChIInChI=1S/C14H25F3N2/c1-5-18-12(3)14(13(4,16)17)6-8-19(9-7-14)10-11(2)15/h11,18H,3,5-10H2,1-2,4H3
InChIKeyQDDBECQAERPCAO-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
CID 129084034
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-[(1-ethyl-3,3-difluoro-4-prop-2-enylpiperidin-4-yl)methyl]ethanamine
CID 155036701
3-(3,3-Difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine
CID 170214625
N-(2-fluoroethyl)-1-piperidin-4-ylethenamine
CID 174338337
3-Ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine
CID 165137927
1-[4-(1,1-difluoroethyl)-1-(2,2-difluoropropyl)piperidin-4-yl]-N-ethylethenamine
CID 177031717
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
1-(1,4-dimethylpiperidin-4-yl)-N-methylethenamine
CID 58035354
1-Methylidene-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 58546878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine (CID 177032435) is 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine is C=C(NCC)C1(C(C)(F)F)CCN(CC(C)F)CC1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine?
The InChIKey is QDDBECQAERPCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-5-18-12(3)14(13(4,16)17)6-8-19(9-7-14)10-11(2)15/h11,18H,3,5-10H2,1-2,4H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine?
1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine has a molecular weight of 278.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-1-(2-fluoropropyl)piperidin-4-yl]-N-ethylethenamine is sourced from PubChem (CID 177032435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).