5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine

C14H28F2N2 — CID 83992822

IUPAC5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
SMILESCCCCC1CC(NCC(F)F)CN(CCC)C1
InChIInChI=1S/C14H28F2N2/c1-3-5-6-12-8-13(17-9-14(15)16)11-18(10-12)7-4-2/h12-14,17H,3-11H2,1-2H3
InChIKeyTVXDPVDMPJDJLM-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.13
Rot. Bonds8

About 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine

5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine (PubChem CID 83992822) has the molecular formula C14H28F2N2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine.

Molecular Properties

Compound Name5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
PubChem CID83992822
Molecular FormulaC14H28F2N2
Molecular Weight262.39 g/mol
Exact Mass262.22
IUPAC Name5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
SMILESCCCCC1CC(NCC(F)F)CN(CCC)C1
InChIInChI=1S/C14H28F2N2/c1-3-5-6-12-8-13(17-9-14(15)16)11-18(10-12)7-4-2/h12-14,17H,3-11H2,1-2H3
InChIKeyTVXDPVDMPJDJLM-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992872
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
1-(2-aminoethyl)-5-butyl-N-methylpiperidin-3-amine
CID 83990113
N-methyl-1,5-dipropylpiperidin-3-amine
CID 83989593
3-[5-(cyclopropylmethylamino)-1-propylpiperidin-3-yl]propan-1-ol
CID 83996295
5-butyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989561
1-butyl-5-(cyclopropylmethyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994249
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine?
The IUPAC name of 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine (CID 83992822) is 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine.
What is the SMILES notation for 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine?
The canonical SMILES for 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine is CCCCC1CC(NCC(F)F)CN(CCC)C1.
What is the InChIKey of 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine?
The InChIKey is TVXDPVDMPJDJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2/c1-3-5-6-12-8-13(17-9-14(15)16)11-18(10-12)7-4-2/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine?
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine has a molecular weight of 262.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine is sourced from PubChem (CID 83992822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).