N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine

C16H33FN2 — CID 167292295

IUPACN-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine
SMILESCCN(C)C(C)(C)CCC(C)(C)N1CCC(F)CC1
InChIInChI=1S/C16H33FN2/c1-7-18(6)15(2,3)10-11-16(4,5)19-12-8-14(17)9-13-19/h14H,7-13H2,1-6H3
InChIKeySBFRGOIUNRMTOP-UHFFFAOYSA-N
MW272.45 g/mol
LogP3.71
Rot. Bonds6

About N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine

N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine (PubChem CID 167292295) has the molecular formula C16H33FN2 and a molecular weight of 272.45 g/mol. Its IUPAC name is N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine
PubChem CID167292295
Molecular FormulaC16H33FN2
Molecular Weight272.45 g/mol
Exact Mass272.26
IUPAC NameN-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine
SMILESCCN(C)C(C)(C)CCC(C)(C)N1CCC(F)CC1
InChIInChI=1S/C16H33FN2/c1-7-18(6)15(2,3)10-11-16(4,5)19-12-8-14(17)9-13-19/h14H,7-13H2,1-6H3
InChIKeySBFRGOIUNRMTOP-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine?
The IUPAC name of N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine (CID 167292295) is N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine.
What is the SMILES notation for N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine?
The canonical SMILES for N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine is CCN(C)C(C)(C)CCC(C)(C)N1CCC(F)CC1.
What is the InChIKey of N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine?
The InChIKey is SBFRGOIUNRMTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2/c1-7-18(6)15(2,3)10-11-16(4,5)19-12-8-14(17)9-13-19/h14H,7-13H2,1-6H3.
What are the key properties of N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine?
N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine has a molecular weight of 272.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-fluoropiperidin-1-yl)-N,2,5-trimethylhexan-2-amine is sourced from PubChem (CID 167292295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).