N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine

C15H28F3N3 — CID 162574392

IUPACN-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
SMILESC/C=C\N(CC)C(C)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3/c1-5-7-20(6-2)13(3)14(4)21-10-8-19(9-11-21)12-15(16,17)18/h5,7,13-14H,6,8-12H2,1-4H3/b7-5-
InChIKeyTUHDOOONGDUGGJ-ALCCZGGFSA-N
MW307.40 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine

N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine (PubChem CID 162574392) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
PubChem CID162574392
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC NameN-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine
SMILESC/C=C\N(CC)C(C)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3/c1-5-7-20(6-2)13(3)14(4)21-10-8-19(9-11-21)12-15(16,17)18/h5,7,13-14H,6,8-12H2,1-4H3/b7-5-
InChIKeyTUHDOOONGDUGGJ-ALCCZGGFSA-N
XLogP2.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The IUPAC name of N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine (CID 162574392) is N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine is C/C=C\N(CC)C(C)C(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
The InChIKey is TUHDOOONGDUGGJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-5-7-20(6-2)13(3)14(4)21-10-8-19(9-11-21)12-15(16,17)18/h5,7,13-14H,6,8-12H2,1-4H3/b7-5-.
What are the key properties of N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine?
N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine has a molecular weight of 307.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(Z)-prop-1-enyl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-amine is sourced from PubChem (CID 162574392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).